N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride

C18H27ClN2 — CID 70053431

IUPACN-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
SMILESCl.c1ccc([C@H]2CCC[C@H]2N/C2=N/CCCCCC2)cc1
InChIInChI=1S/C18H26N2.ClH/c1-2-7-14-19-18(13-6-1)20-17-12-8-11-16(17)15-9-4-3-5-10-15;/h3-5,9-10,16-17H,1-2,6-8,11-14H2,(H,19,20);1H/t16-,17-;/m1./s1
InChIKeyYIEDTWKWOCGNJY-GBNZRNLASA-N
MW306.88 g/mol
LogP4.70
Rot. Bonds2

About N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride

N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride (PubChem CID 70053431) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
PubChem CID70053431
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC NameN-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
SMILESCl.c1ccc([C@H]2CCC[C@H]2N/C2=N/CCCCCC2)cc1
InChIInChI=1S/C18H26N2.ClH/c1-2-7-14-19-18(13-6-1)20-17-12-8-11-16(17)15-9-4-3-5-10-15;/h3-5,9-10,16-17H,1-2,6-8,11-14H2,(H,19,20);1H/t16-,17-;/m1./s1
InChIKeyYIEDTWKWOCGNJY-GBNZRNLASA-N
XLogP4.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The IUPAC name of N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride (CID 70053431) is N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride.
What is the SMILES notation for N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The canonical SMILES for N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride is Cl.c1ccc([C@H]2CCC[C@H]2N/C2=N/CCCCCC2)cc1.
What is the InChIKey of N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
The InChIKey is YIEDTWKWOCGNJY-GBNZRNLASA-N. The full InChI is InChI=1S/C18H26N2.ClH/c1-2-7-14-19-18(13-6-1)20-17-12-8-11-16(17)15-9-4-3-5-10-15;/h3-5,9-10,16-17H,1-2,6-8,11-14H2,(H,19,20);1H/t16-,17-;/m1./s1.
What are the key properties of N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride?
N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride is sourced from PubChem (CID 70053431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).