1-cyclohexylhexan-3-amine

C12H25N — CID 43370456

IUPAC1-cyclohexylhexan-3-amine
SMILESCCCC(N)CCC1CCCCC1
InChIInChI=1S/C12H25N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h11-12H,2-10,13H2,1H3
InChIKeyGCOBOXBEIVTJSC-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.47
Rot. Bonds5

About 1-cyclohexylhexan-3-amine

1-cyclohexylhexan-3-amine (PubChem CID 43370456) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-cyclohexylhexan-3-amine.

Molecular Properties

Compound Name1-cyclohexylhexan-3-amine
PubChem CID43370456
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-cyclohexylhexan-3-amine
SMILESCCCC(N)CCC1CCCCC1
InChIInChI=1S/C12H25N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h11-12H,2-10,13H2,1H3
InChIKeyGCOBOXBEIVTJSC-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 115835660
1-cyclohexyl-5-ethylheptan-3-amine
CID 105028019
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
1-cyclohexyl-6,6,6-trifluorohexan-3-amine
CID 104992655
(2S)-2-amino-4-cyclohexylbutan-1-ol
CID 11447105
1-cyclopentyl-7-methyloctan-3-amine
CID 105028925
1-cyclohexyl-5-methylsulfonylpentan-3-amine
CID 115848165
4-cyclopentyl-1-propoxybutan-2-amine
CID 105008552
3-ethylhexylcyclopentane
CID 123372890
cyclopentanamine;hexan-3-amine
CID 143368714
1-(2-cyclohexylethyl)-4-[2-(4-propylcyclohexyl)ethyl]cyclohexane
CID 70430254
propylcyclotetradecane
CID 90991550

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylhexan-3-amine?
The IUPAC name of 1-cyclohexylhexan-3-amine (CID 43370456) is 1-cyclohexylhexan-3-amine.
What is the SMILES notation for 1-cyclohexylhexan-3-amine?
The canonical SMILES for 1-cyclohexylhexan-3-amine is CCCC(N)CCC1CCCCC1.
What is the InChIKey of 1-cyclohexylhexan-3-amine?
The InChIKey is GCOBOXBEIVTJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-2-6-12(13)10-9-11-7-4-3-5-8-11/h11-12H,2-10,13H2,1H3.
What are the key properties of 1-cyclohexylhexan-3-amine?
1-cyclohexylhexan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylhexan-3-amine is sourced from PubChem (CID 43370456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).