(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine

C21H26N2 — CID 15522168

IUPAC(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
SMILESC[C@H](c1cccc2ccccc12)N(C)C1=N[C@]1(C)C1CCCC1
InChIInChI=1S/C21H26N2/c1-15(18-14-8-10-16-9-4-7-13-19(16)18)23(3)20-21(2,22-20)17-11-5-6-12-17/h4,7-10,13-15,17H,5-6,11-12H2,1-3H3/t15-,21-/m1/s1
InChIKeyWVYDBLDJSXLDLL-QVKFZJNVSA-N
MW306.45 g/mol
LogP5.19
Rot. Bonds3

About (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine

(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine (PubChem CID 15522168) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine.

Molecular Properties

Compound Name(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
PubChem CID15522168
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine
SMILESC[C@H](c1cccc2ccccc12)N(C)C1=N[C@]1(C)C1CCCC1
InChIInChI=1S/C21H26N2/c1-15(18-14-8-10-16-9-4-7-13-19(16)18)23(3)20-21(2,22-20)17-11-5-6-12-17/h4,7-10,13-15,17H,5-6,11-12H2,1-3H3/t15-,21-/m1/s1
InChIKeyWVYDBLDJSXLDLL-QVKFZJNVSA-N
XLogP5.19
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The IUPAC name of (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine (CID 15522168) is (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine.
What is the SMILES notation for (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The canonical SMILES for (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine is C[C@H](c1cccc2ccccc12)N(C)C1=N[C@]1(C)C1CCCC1.
What is the InChIKey of (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
The InChIKey is WVYDBLDJSXLDLL-QVKFZJNVSA-N. The full InChI is InChI=1S/C21H26N2/c1-15(18-14-8-10-16-9-4-7-13-19(16)18)23(3)20-21(2,22-20)17-11-5-6-12-17/h4,7-10,13-15,17H,5-6,11-12H2,1-3H3/t15-,21-/m1/s1.
What are the key properties of (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine?
(3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine has a molecular weight of 306.45 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopentyl-N,3-dimethyl-N-[(1R)-1-naphthalen-1-ylethyl]azirin-2-amine is sourced from PubChem (CID 15522168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).