3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine

C15H29NO — CID 103785689

IUPAC3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)C2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-3-13-5-4-6-15(11-13)16-12(2)14-7-9-17-10-8-14/h12-16H,3-11H2,1-2H3
InChIKeyWHGZFIOINOWUFY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

About 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine

3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103785689) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103785689
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(NC(C)C2CCOCC2)C1
InChIInChI=1S/C15H29NO/c1-3-13-5-4-6-15(11-13)16-12(2)14-7-9-17-10-8-14/h12-16H,3-11H2,1-2H3
InChIKeyWHGZFIOINOWUFY-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048
N-[(1R)-1-cyclopentylethyl]-3-ethylcyclopentan-1-amine
CID 81395536
N-(1-cyclohexylethyl)-4-ethylcycloheptan-1-amine
CID 65083125
2-amino-N-(3-ethylcyclohexyl)-2-(oxan-4-yl)acetamide
CID 120794016
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
1-N-[(1S)-1-cycloheptylethyl]cyclohexane-1,3-diamine
CID 81390120
(2R)-2-[(3-ethylcyclohexyl)amino]-N,N-dimethylpropanamide
CID 103903038
1-(3-ethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 65330302
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
(3S)-N-(1-cyclobutylethyl)oxan-3-amine
CID 130735135

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine (CID 103785689) is 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine is CCC1CCCC(NC(C)C2CCOCC2)C1.
What is the InChIKey of 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is WHGZFIOINOWUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-13-5-4-6-15(11-13)16-12(2)14-7-9-17-10-8-14/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine?
3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103785689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).