N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine

C16H31NO — CID 103992902

IUPACN-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCC2CCCCO2)CC1
InChIInChI=1S/C16H31NO/c1-2-5-14-7-9-15(10-8-14)17-12-11-16-6-3-4-13-18-16/h14-17H,2-13H2,1H3
InChIKeyQTAPJRBPHCMQJW-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.89
Rot. Bonds6

About N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine

N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine (PubChem CID 103992902) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
PubChem CID103992902
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCCC2CCCCO2)CC1
InChIInChI=1S/C16H31NO/c1-2-5-14-7-9-15(10-8-14)17-12-11-16-6-3-4-13-18-16/h14-17H,2-13H2,1H3
InChIKeyQTAPJRBPHCMQJW-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
3-methoxy-N-[2-(oxan-2-yl)ethyl]cyclobutan-1-amine
CID 104872112
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
ethyl 4-[2-(oxan-2-yl)ethylamino]piperidine-1-carboxylate
CID 103993007
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077
N-(2-cyclohexyloxyethyl)-4-propylcyclohexan-1-amine
CID 63826755
N'-cyclopentyl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 63462451
N-[2-(oxolan-2-yl)ethyl]nonan-1-amine
CID 61039120
1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 65163671
1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine (CID 103992902) is N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCCC2CCCCO2)CC1.
What is the InChIKey of N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
The InChIKey is QTAPJRBPHCMQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-5-14-7-9-15(10-8-14)17-12-11-16-6-3-4-13-18-16/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine?
N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-2-yl)ethyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 103992902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).