N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine

C19H29NO — CID 63824060

IUPACN-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCOC3CCCC3)CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-15-21-19-8-4-5-9-19/h1-3,6-7,17-20H,4-5,8-15H2
InChIKeyCTAMGZKNENGWNN-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds6

About N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine

N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine (PubChem CID 63824060) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
PubChem CID63824060
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
SMILESc1ccc(C2CCC(NCCOC3CCCC3)CC2)cc1
InChIInChI=1S/C19H29NO/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-15-21-19-8-4-5-9-19/h1-3,6-7,17-20H,4-5,8-15H2
InChIKeyCTAMGZKNENGWNN-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
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-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
CID 103779816
N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
2-cyclopentyloxy-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79983771
3-(2-bromophenyl)-N-(2-cyclopentyloxyethyl)cyclobutan-1-amine
CID 63824048
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
N-(2-cycloheptyloxyethyl)-4-methylcyclohexan-1-amine
CID 62583471
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
N-(2-cyclobutyloxyethyl)-4-methylcyclohexan-1-amine
CID 62584943

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine (CID 63824060) is N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine is c1ccc(C2CCC(NCCOC3CCCC3)CC2)cc1.
What is the InChIKey of N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine?
The InChIKey is CTAMGZKNENGWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)20-14-15-21-19-8-4-5-9-19/h1-3,6-7,17-20H,4-5,8-15H2.
What are the key properties of N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine?
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 63824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).