(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine

C24H30N2 — CID 73351393

IUPAC(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
SMILESC[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
InChIKeyFUMBLBJFVJXVBV-VWMXVWASSA-N
MW346.52 g/mol
LogP5.36
Rot. Bonds4

About (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine

(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine (PubChem CID 73351393) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine.

Molecular Properties

Compound Name(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
PubChem CID73351393
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine
SMILESC[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1
InChIInChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1
InChIKeyFUMBLBJFVJXVBV-VWMXVWASSA-N
XLogP5.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The IUPAC name of (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine (CID 73351393) is (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine.
What is the SMILES notation for (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The canonical SMILES for (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine is C[C@H]1[C@H]2Cc3ccc(Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1.
What is the InChIKey of (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
The InChIKey is FUMBLBJFVJXVBV-VWMXVWASSA-N. The full InChI is InChI=1S/C24H30N2/c1-17-23-14-19-10-11-21(25-20-6-4-3-5-7-20)15-22(19)24(17,2)12-13-26(23)16-18-8-9-18/h3-7,10-11,15,17-18,23,25H,8-9,12-14,16H2,1-2H3/t17-,23+,24-/m0/s1.
What are the key properties of (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine?
(1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine has a molecular weight of 346.52 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,13R)-10-(cyclopropylmethyl)-1,13-dimethyl-N-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-amine is sourced from PubChem (CID 73351393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).