(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine

C18H27N3 — CID 59334291

IUPAC(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
SMILESC[C@H]1C2Cc3cc(N)c(N)cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H27N3/c1-11-17-8-13-7-15(19)16(20)9-14(13)18(11,2)5-6-21(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,19-20H2,1-2H3/t11-,17?,18-/m0/s1
InChIKeyUAIWUSDXBKZQDM-ABRORHJPSA-N
MW285.43 g/mol
LogP2.79
Rot. Bonds2

About (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine

(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine (PubChem CID 59334291) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine.

Molecular Properties

Compound Name(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
PubChem CID59334291
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine
SMILESC[C@H]1C2Cc3cc(N)c(N)cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C18H27N3/c1-11-17-8-13-7-15(19)16(20)9-14(13)18(11,2)5-6-21(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,19-20H2,1-2H3/t11-,17?,18-/m0/s1
InChIKeyUAIWUSDXBKZQDM-ABRORHJPSA-N
XLogP2.79
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine?
The IUPAC name of (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine (CID 59334291) is (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine.
What is the SMILES notation for (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine?
The canonical SMILES for (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine is C[C@H]1C2Cc3cc(N)c(N)cc3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine?
The InChIKey is UAIWUSDXBKZQDM-ABRORHJPSA-N. The full InChI is InChI=1S/C18H27N3/c1-11-17-8-13-7-15(19)16(20)9-14(13)18(11,2)5-6-21(17)10-12-3-4-12/h7,9,11-12,17H,3-6,8,10,19-20H2,1-2H3/t11-,17?,18-/m0/s1.
What are the key properties of (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine?
(1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine has a molecular weight of 285.43 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-4,5-diamine is sourced from PubChem (CID 59334291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).