11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine

C17H21N5O — CID 155900670

IUPAC11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine
SMILESC=C1C=C(NCC2CCCO2)n2nc3nc(C)cc(C)c3c2N1
InChIInChI=1S/C17H21N5O/c1-10-7-11(2)19-16-15(10)17-20-12(3)8-14(22(17)21-16)18-9-13-5-4-6-23-13/h7-8,13,18,20H,3-6,9H2,1-2H3
InChIKeyODYCZKXYMYLAFD-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.55
Rot. Bonds3

About 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine

11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine (PubChem CID 155900670) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine.

Molecular Properties

Compound Name11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine
PubChem CID155900670
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine
SMILESC=C1C=C(NCC2CCCO2)n2nc3nc(C)cc(C)c3c2N1
InChIInChI=1S/C17H21N5O/c1-10-7-11(2)19-16-15(10)17-20-12(3)8-14(22(17)21-16)18-9-13-5-4-6-23-13/h7-8,13,18,20H,3-6,9H2,1-2H3
InChIKeyODYCZKXYMYLAFD-UHFFFAOYSA-N
XLogP2.55
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine with MolForge

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Related Compounds

3,10,12-trimethyl-N-(oxolan-2-ylmethyl)-7-thia-3,4,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-amine
CID 89452731
6-chloro-2-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62480935
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
5,7-dimethyl-N-(oxolan-2-ylmethyl)-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168227
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
6-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 50830645
4-N-(2-chloro-4,6-dimethylphenyl)-2-methyl-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870105
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112912417
2-methyl-6-N-(3-methylbutyl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112870060
6-chloro-N-(oxolan-2-ylmethyl)-2-propylpyrimidin-4-amine
CID 80939617

Frequently Asked Questions

What is the IUPAC name of 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine?
The IUPAC name of 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine (CID 155900670) is 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine.
What is the SMILES notation for 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine?
The canonical SMILES for 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine is C=C1C=C(NCC2CCCO2)n2nc3nc(C)cc(C)c3c2N1.
What is the InChIKey of 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine?
The InChIKey is ODYCZKXYMYLAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-10-7-11(2)19-16-15(10)17-20-12(3)8-14(22(17)21-16)18-9-13-5-4-6-23-13/h7-8,13,18,20H,3-6,9H2,1-2H3.
What are the key properties of 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine?
11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine has a molecular weight of 311.39 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-dimethyl-4-methylidene-N-(oxolan-2-ylmethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,5,8,10,12-pentaen-6-amine is sourced from PubChem (CID 155900670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).