N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine

C18H29NO — CID 103779816

IUPACN-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
SMILESCOCCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-20-15-7-3-6-14-19-18-12-10-17(11-13-18)16-8-4-2-5-9-16/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3
InChIKeyPYRGQTDRRAZMPS-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds8

About N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine

N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine (PubChem CID 103779816) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
PubChem CID103779816
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-(5-methoxypentyl)-4-phenylcyclohexan-1-amine
SMILESCOCCCCCNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H29NO/c1-20-15-7-3-6-14-19-18-12-10-17(11-13-18)16-8-4-2-5-9-16/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3
InChIKeyPYRGQTDRRAZMPS-UHFFFAOYSA-N
XLogP4.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
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

4-[(4-phenylcyclohexyl)amino]butan-1-ol
CID 106841006
3-[(4-phenylcyclohexyl)amino]propan-1-ol
CID 28714370
N-(2-cyclopentyloxyethyl)-4-phenylcyclohexan-1-amine
CID 63824060
N-hex-5-ynyl-4-phenylcyclohexan-1-amine
CID 103903638
N-[2-(2-methylpropoxy)ethyl]-4-phenylcyclohexan-1-amine
CID 115584682
N-(5-methoxypentyl)-3-(3-methylphenyl)cyclobutan-1-amine
CID 104530006
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(5-methoxypentyl)-4-propan-2-ylcyclohexan-1-amine
CID 103698848
N-(4-phenylmethoxybutyl)cyclopropanamine
CID 62445391
N-(5-methoxypentyl)thian-4-amine
CID 103631860
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine (CID 103779816) is N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine is COCCCCCNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine?
The InChIKey is PYRGQTDRRAZMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-20-15-7-3-6-14-19-18-12-10-17(11-13-18)16-8-4-2-5-9-16/h2,4-5,8-9,17-19H,3,6-7,10-15H2,1H3.
What are the key properties of N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine?
N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxypentyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 103779816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).