N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine

C23H36N2 — CID 90221273

IUPACN-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine
SMILESc1ccc(C2CCC[C@@H]2N/C2=N/CCCCCCCCCCC2)cc1
InChIInChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21?,22-/m0/s1
InChIKeyRTRIXVOSRYRSBP-KEKNWZKVSA-N
MW340.56 g/mol
LogP6.23
Rot. Bonds2

About N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine

N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine (PubChem CID 90221273) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine.

Molecular Properties

Compound NameN-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine
PubChem CID90221273
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC NameN-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine
SMILESc1ccc(C2CCC[C@@H]2N/C2=N/CCCCCCCCCCC2)cc1
InChIInChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21?,22-/m0/s1
InChIKeyRTRIXVOSRYRSBP-KEKNWZKVSA-N
XLogP6.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.56
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 70053431
N-[(1R,2S)-2-phenylcycloheptyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 70051755
N-(2-phenylcyclopropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508367
2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol
CID 54553270
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 97170591
N-[(1S,2S)-2-phenylcyclopentyl]cyclohexanecarboxamide
CID 67394032
2-amino-N-(2-phenylcyclopentyl)acetamide
CID 119323270
N-(2-bicyclo[2.2.1]heptanyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79504363
4-bromo-N-(2-phenylcyclohexyl)aniline
CID 43762754
2-(4-aminophenyl)-N-(2-phenylcyclopentyl)acetamide;hydrochloride
CID 119783054
6-fluoro-N-(2-phenylcyclohexyl)pyridin-2-amine
CID 116813035
cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol
CID 54048321

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine?
The IUPAC name of N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine (CID 90221273) is N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine.
What is the SMILES notation for N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine?
The canonical SMILES for N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine is c1ccc(C2CCC[C@@H]2N/C2=N/CCCCCCCCCCC2)cc1.
What is the InChIKey of N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine?
The InChIKey is RTRIXVOSRYRSBP-KEKNWZKVSA-N. The full InChI is InChI=1S/C23H36N2/c1-2-4-6-11-18-23(24-19-12-7-5-3-1)25-22-17-13-16-21(22)20-14-9-8-10-15-20/h8-10,14-15,21-22H,1-7,11-13,16-19H2,(H,24,25)/t21?,22-/m0/s1.
What are the key properties of N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine?
N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine has a molecular weight of 340.56 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine is sourced from PubChem (CID 90221273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).