N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine

C27H31N5 — CID 142157265

IUPACN-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine
SMILESCc1cc(C)c(-n2c3ncccc3n3c(CN(CC4=CC4)CC4CC4)c(C)nc23)c(C)c1
InChIInChI=1S/C27H31N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-7,11-13,22H,8-10,14-16H2,1-4H3
InChIKeyFZWGYBJUYCYBPM-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.45
Rot. Bonds7

About N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine

N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine (PubChem CID 142157265) has the molecular formula C27H31N5 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine.

Molecular Properties

Compound NameN-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine
PubChem CID142157265
Molecular FormulaC27H31N5
Molecular Weight425.58 g/mol
Exact Mass425.26
IUPAC NameN-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine
SMILESCc1cc(C)c(-n2c3ncccc3n3c(CN(CC4=CC4)CC4CC4)c(C)nc23)c(C)c1
InChIInChI=1S/C27H31N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-7,11-13,22H,8-10,14-16H2,1-4H3
InChIKeyFZWGYBJUYCYBPM-UHFFFAOYSA-N
XLogP5.45
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine with MolForge

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Related Compounds

N-[[7-(2-chloro-4,6-dimethylphenyl)-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]-N-(cyclopropylmethyl)ethanamine
CID 20780177
N-(cyclobutylmethyl)-N-[[4-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]propan-1-amine
CID 20780145
N-(2-cyclopropylethyl)-3,3,3-trifluoro-N-[[4-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]propan-1-amine
CID 20780085
N-(cyclopropylmethyl)-3,3,3-trifluoro-N-[[2-(trifluoromethyl)-4-(2,4,6-trimethylphenyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]propan-1-amine
CID 20780074
N-(cyclopropylmethyl)-2-methyl-N-propyl-9-(2,4,6-trimethylphenyl)pyrimido[4,5-b]indol-4-amine
CID 139821497
2-[cyclopropylmethyl-[(1,3-dimethylindol-2-yl)methyl]amino]acetic acid
CID 107236494
N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide
CID 15491214
2-[[bis(cyclopropylmethyl)amino]methyl]pyridin-3-amine
CID 113447459
N-(cyclobutylmethyl)-N-[[4-(2,4-dichlorophenyl)-2-(trifluoromethyl)imidazo[1,2-a]benzimidazol-1-yl]methyl]-2,2,2-trifluoroethanamine
CID 20780044
3-phenyl-4-(2,4,6-trimethylphenyl)-2,5,11,14-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776045
3-carbazol-9-yl-4-(2,4,6-trimethylphenyl)-2,5,11,17-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776052
N-phenyl-2-[3-(2,4,6-trimethylphenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetamide
CID 66546774

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine?
The IUPAC name of N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine (CID 142157265) is N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine.
What is the SMILES notation for N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine?
The canonical SMILES for N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine is Cc1cc(C)c(-n2c3ncccc3n3c(CN(CC4=CC4)CC4CC4)c(C)nc23)c(C)c1.
What is the InChIKey of N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine?
The InChIKey is FZWGYBJUYCYBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5/c1-17-12-18(2)25(19(3)13-17)32-26-23(6-5-11-28-26)31-24(20(4)29-27(31)32)16-30(14-21-7-8-21)15-22-9-10-22/h5-7,11-13,22H,8-10,14-16H2,1-4H3.
What are the key properties of N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine?
N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine has a molecular weight of 425.58 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropen-1-ylmethyl)-1-cyclopropyl-N-[[4-methyl-7-(2,4,6-trimethylphenyl)-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaen-3-yl]methyl]methanamine is sourced from PubChem (CID 142157265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).