N-[2-(3-phenylpropoxy)propyl]cyclopentanamine

C17H27NO — CID 62583680

IUPACN-[2-(3-phenylpropoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-15(14-18-17-11-5-6-12-17)19-13-7-10-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3
InChIKeyZPICSIPYGTZXHF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(3-phenylpropoxy)propyl]cyclopentanamine

N-[2-(3-phenylpropoxy)propyl]cyclopentanamine (PubChem CID 62583680) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(3-phenylpropoxy)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-(3-phenylpropoxy)propyl]cyclopentanamine
PubChem CID62583680
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(3-phenylpropoxy)propyl]cyclopentanamine
SMILESCC(CNC1CCCC1)OCCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-15(14-18-17-11-5-6-12-17)19-13-7-10-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3
InChIKeyZPICSIPYGTZXHF-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylpentoxy)propyl]cyclopentanamine
CID 62598653
N-[3-methyl-2-(2-phenylethoxy)butyl]cyclopropanamine
CID 114999821
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
[(2R)-1-(cyclohexylamino)propan-2-yl] benzoate
CID 57202485
N-[2-[(4-chlorophenyl)methoxy]propyl]cyclopentanamine
CID 65125616
N-[2-(4-propylphenoxy)propyl]cyclohexanamine
CID 63515427
N-[2-[(4-bromophenyl)methoxy]propyl]cyclopentanamine
CID 82825959
4-(3-phenylpropoxy)pentan-2-ol
CID 64720180
[(2S)-1-(cyclohexylamino)propan-2-yl] benzoate;hydrochloride
CID 66584128
2-(3-phenylpropoxy)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62584061
3-methoxy-2-(3-phenylpropoxy)-N-propan-2-ylpropan-1-amine
CID 103228598
N-(5-phenyl-2-propylpentyl)cyclopropanamine
CID 63498686

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpropoxy)propyl]cyclopentanamine?
The IUPAC name of N-[2-(3-phenylpropoxy)propyl]cyclopentanamine (CID 62583680) is N-[2-(3-phenylpropoxy)propyl]cyclopentanamine.
What is the SMILES notation for N-[2-(3-phenylpropoxy)propyl]cyclopentanamine?
The canonical SMILES for N-[2-(3-phenylpropoxy)propyl]cyclopentanamine is CC(CNC1CCCC1)OCCCc1ccccc1.
What is the InChIKey of N-[2-(3-phenylpropoxy)propyl]cyclopentanamine?
The InChIKey is ZPICSIPYGTZXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-15(14-18-17-11-5-6-12-17)19-13-7-10-16-8-3-2-4-9-16/h2-4,8-9,15,17-18H,5-7,10-14H2,1H3.
What are the key properties of N-[2-(3-phenylpropoxy)propyl]cyclopentanamine?
N-[2-(3-phenylpropoxy)propyl]cyclopentanamine has a molecular weight of 261.41 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpropoxy)propyl]cyclopentanamine is sourced from PubChem (CID 62583680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).