1-cyclobutyl-4-ethylhexan-2-amine

C12H25N — CID 103169365

IUPAC1-cyclobutyl-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CC1CCC1
InChIInChI=1S/C12H25N/c1-3-10(4-2)8-12(13)9-11-6-5-7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyRRKNIWCFZNQGRK-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.33
Rot. Bonds6

About 1-cyclobutyl-4-ethylhexan-2-amine

1-cyclobutyl-4-ethylhexan-2-amine (PubChem CID 103169365) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclobutyl-4-ethylhexan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-ethylhexan-2-amine
PubChem CID103169365
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclobutyl-4-ethylhexan-2-amine
SMILESCCC(CC)CC(N)CC1CCC1
InChIInChI=1S/C12H25N/c1-3-10(4-2)8-12(13)9-11-6-5-7-11/h10-12H,3-9,13H2,1-2H3
InChIKeyRRKNIWCFZNQGRK-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cyclobutyl-3-ethylsulfanylpropan-2-amine
CID 65457451
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
CID 143080326
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-(1,4-dimethylpiperazin-2-yl)-4-ethylhexan-2-amine
CID 82923377
1-cyclopropyl-4-methylpentan-2-amine
CID 62753020
1-cyclopentyldecan-2-amine
CID 115835607

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-ethylhexan-2-amine?
The IUPAC name of 1-cyclobutyl-4-ethylhexan-2-amine (CID 103169365) is 1-cyclobutyl-4-ethylhexan-2-amine.
What is the SMILES notation for 1-cyclobutyl-4-ethylhexan-2-amine?
The canonical SMILES for 1-cyclobutyl-4-ethylhexan-2-amine is CCC(CC)CC(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-4-ethylhexan-2-amine?
The InChIKey is RRKNIWCFZNQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-3-10(4-2)8-12(13)9-11-6-5-7-11/h10-12H,3-9,13H2,1-2H3.
What are the key properties of 1-cyclobutyl-4-ethylhexan-2-amine?
1-cyclobutyl-4-ethylhexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-ethylhexan-2-amine is sourced from PubChem (CID 103169365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).