N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine

C21H27N — CID 134854219

IUPACN-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine
SMILESC[C@H](N=c1c2c(ccc3c1CCC=C3)C=CCC2)C(C)(C)C
InChIInChI=1S/C21H27N/c1-15(21(2,3)4)22-20-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)20/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3/t15-/m0/s1
InChIKeyAMILGFJZWVHROQ-HNNXBMFYSA-N
MW293.45 g/mol
LogP4.94
Rot. Bonds1

About N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine

N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine (PubChem CID 134854219) has the molecular formula C21H27N and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine
PubChem CID134854219
Molecular FormulaC21H27N
Molecular Weight293.45 g/mol
Exact Mass293.21
IUPAC NameN-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine
SMILESC[C@H](N=c1c2c(ccc3c1CCC=C3)C=CCC2)C(C)(C)C
InChIInChI=1S/C21H27N/c1-15(21(2,3)4)22-20-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)20/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3/t15-/m0/s1
InChIKeyAMILGFJZWVHROQ-HNNXBMFYSA-N
XLogP4.94
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-Di-(4,4'-dimethylphenyl)-6,7-dihydro-5h-1,4-diazepine
CID 129800522
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 87085215
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 88553588
1-N,2-N,4,5-tetramethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89001106
1-N,2-N-dimethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89001138
6-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N,4-trimethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89017569
1-N,2-N-dimethyl-3,6-bis[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89152373
3,6-bis[(E,4E)-4-(3,3-dimethylbutan-2-ylidene)dec-2-en-2-yl]-1-N,2-N,4,5-tetramethylcyclohexa-3,5-diene-1,2-diimine
CID 89232196
1-N,2-N,4-trimethyl-3-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89288594
3-[(2E,4E)-5,6-dimethylhepta-2,4-dien-2-yl]-1-N,2-N,4-trimethyl-6-[(2E,4E)-5,6,6-trimethylhepta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 89335914
1-cyclohexa-1,3-dien-1-yl-N-(3-methylbutyl)-2-methylidenepent-3-en-1-imine
CID 123341733
3-[(2E,4E)-6-ethyl-5,6-dimethylocta-2,4-dien-2-yl]-1-N,2-N-dimethyl-6-[(2E,4E)-5,6,6-trimethylocta-2,4-dien-2-yl]cyclohexa-3,5-diene-1,2-diimine
CID 129212588

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine?
The IUPAC name of N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine (CID 134854219) is N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine.
What is the SMILES notation for N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine?
The canonical SMILES for N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine is C[C@H](N=c1c2c(ccc3c1CCC=C3)C=CCC2)C(C)(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine?
The InChIKey is AMILGFJZWVHROQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N/c1-15(21(2,3)4)22-20-18-11-7-5-9-16(18)13-14-17-10-6-8-12-19(17)20/h5-6,9-10,13-15H,7-8,11-12H2,1-4H3/t15-/m0/s1.
What are the key properties of N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine?
N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine has a molecular weight of 293.45 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethylbutan-2-yl]tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),6,9,12-pentaen-2-imine is sourced from PubChem (CID 134854219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).