(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine

C19H22N2 — CID 10826477

IUPAC(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
SMILESCC(C)C1=C[C@H]2Cc3nc4ccccc4c(N)c3[C@@H](C1)C2
InChIInChI=1S/C19H22N2/c1-11(2)13-7-12-8-14(10-13)18-17(9-12)21-16-6-4-3-5-15(16)19(18)20/h3-7,11-12,14H,8-10H2,1-2H3,(H2,20,21)/t12-,14-/m1/s1
InChIKeyVBKFLODLBRKVOX-TZMCWYRMSA-N
MW278.40 g/mol
LogP4.45
Rot. Bonds1

About (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine

(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine (PubChem CID 10826477) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine.

Molecular Properties

Compound Name(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
PubChem CID10826477
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine
SMILESCC(C)C1=C[C@H]2Cc3nc4ccccc4c(N)c3[C@@H](C1)C2
InChIInChI=1S/C19H22N2/c1-11(2)13-7-12-8-14(10-13)18-17(9-12)21-16-6-4-3-5-15(16)19(18)20/h3-7,11-12,14H,8-10H2,1-2H3,(H2,20,21)/t12-,14-/m1/s1
InChIKeyVBKFLODLBRKVOX-TZMCWYRMSA-N
XLogP4.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine 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 (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The IUPAC name of (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine (CID 10826477) is (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine.
What is the SMILES notation for (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The canonical SMILES for (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine is CC(C)C1=C[C@H]2Cc3nc4ccccc4c(N)c3[C@@H](C1)C2.
What is the InChIKey of (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
The InChIKey is VBKFLODLBRKVOX-TZMCWYRMSA-N. The full InChI is InChI=1S/C19H22N2/c1-11(2)13-7-12-8-14(10-13)18-17(9-12)21-16-6-4-3-5-15(16)19(18)20/h3-7,11-12,14H,8-10H2,1-2H3,(H2,20,21)/t12-,14-/m1/s1.
What are the key properties of (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine?
(1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine has a molecular weight of 278.40 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13R)-15-propan-2-yl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine is sourced from PubChem (CID 10826477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).