1-cyclohexyl-5-ethylheptan-3-amine

C15H31N — CID 105028019

IUPAC1-cyclohexyl-5-ethylheptan-3-amine
SMILESCCC(CC)CC(N)CCC1CCCCC1
InChIInChI=1S/C15H31N/c1-3-13(4-2)12-15(16)11-10-14-8-6-5-7-9-14/h13-15H,3-12,16H2,1-2H3
InChIKeyBZNLMYXSTQKKGB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.50
Rot. Bonds7

About 1-cyclohexyl-5-ethylheptan-3-amine

1-cyclohexyl-5-ethylheptan-3-amine (PubChem CID 105028019) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cyclohexyl-5-ethylheptan-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-5-ethylheptan-3-amine
PubChem CID105028019
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cyclohexyl-5-ethylheptan-3-amine
SMILESCCC(CC)CC(N)CCC1CCCCC1
InChIInChI=1S/C15H31N/c1-3-13(4-2)12-15(16)11-10-14-8-6-5-7-9-14/h13-15H,3-12,16H2,1-2H3
InChIKeyBZNLMYXSTQKKGB-UHFFFAOYSA-N
XLogP4.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexylhexan-3-amine
CID 43370456
1-cyclobutyl-4-ethylhexan-2-amine
CID 103169365
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
3-ethylhexylcyclopentane
CID 123372890
(2S)-2-amino-4-cyclohexylbutan-1-ol
CID 11447105
1-cyclopentylundecan-3-amine
CID 115835660
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
1-cyclopentyl-N,5-diethylheptan-3-amine
CID 105028198
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
3-ethylpentylcyclopropane
CID 91030831
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-ethylheptan-3-amine?
The IUPAC name of 1-cyclohexyl-5-ethylheptan-3-amine (CID 105028019) is 1-cyclohexyl-5-ethylheptan-3-amine.
What is the SMILES notation for 1-cyclohexyl-5-ethylheptan-3-amine?
The canonical SMILES for 1-cyclohexyl-5-ethylheptan-3-amine is CCC(CC)CC(N)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-ethylheptan-3-amine?
The InChIKey is BZNLMYXSTQKKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-13(4-2)12-15(16)11-10-14-8-6-5-7-9-14/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 1-cyclohexyl-5-ethylheptan-3-amine?
1-cyclohexyl-5-ethylheptan-3-amine has a molecular weight of 225.42 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-ethylheptan-3-amine is sourced from PubChem (CID 105028019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).