N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine

C16H31NO — CID 114191053

IUPACN-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
SMILESCC(NCCCCC1CCOCC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-14(16-7-2-3-8-16)17-11-5-4-6-15-9-12-18-13-10-15/h14-17H,2-13H2,1H3
InChIKeyJRYFSBIJGVCIIB-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds7

About N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine

N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine (PubChem CID 114191053) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
PubChem CID114191053
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
SMILESCC(NCCCCC1CCOCC1)C1CCCC1
InChIInChI=1S/C16H31NO/c1-14(16-7-2-3-8-16)17-11-5-4-6-15-9-12-18-13-10-15/h14-17H,2-13H2,1H3
InChIKeyJRYFSBIJGVCIIB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
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-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
3-cyclohexyl-N-(1-cyclopropylethyl)propan-1-amine
CID 115676362
N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
5-[[(1R)-1-cyclopentylethyl]amino]pentan-1-ol
CID 81393980
6-[[(1S)-1-cyclopentylethyl]amino]hexan-1-ol
CID 107703530
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-(1-cyclopentylethyl)-3-fluoropropan-1-amine
CID 81106948
5-[[(1S)-1-cycloheptylethyl]amino]pentan-1-ol
CID 81393292

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine?
The IUPAC name of N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine (CID 114191053) is N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine?
The canonical SMILES for N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine is CC(NCCCCC1CCOCC1)C1CCCC1.
What is the InChIKey of N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine?
The InChIKey is JRYFSBIJGVCIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(16-7-2-3-8-16)17-11-5-4-6-15-9-12-18-13-10-15/h14-17H,2-13H2,1H3.
What are the key properties of N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine?
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 114191053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).