1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine

C13H28N2 — CID 144564960

IUPAC1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
SMILESCCCCC(N)C1CCC([C@H](C)N)CC1
InChIInChI=1S/C13H28N2/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h10-13H,3-9,14-15H2,1-2H3/t10-,11?,12?,13?/m0/s1
InChIKeyQOFHZTUAEFAFMV-DCNVRKPOSA-N
MW212.38 g/mol
LogP2.66
Rot. Bonds5

About 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine

1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine (PubChem CID 144564960) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine.

Molecular Properties

Compound Name1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
PubChem CID144564960
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine
SMILESCCCCC(N)C1CCC([C@H](C)N)CC1
InChIInChI=1S/C13H28N2/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h10-13H,3-9,14-15H2,1-2H3/t10-,11?,12?,13?/m0/s1
InChIKeyQOFHZTUAEFAFMV-DCNVRKPOSA-N
XLogP2.66
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentylpentan-1-amine
CID 55292231
1-cyclobutylnonan-1-amine
CID 64986616
(1R)-1-cyclopropylbutan-1-amine;hydrochloride
CID 155046187
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
1-cyclopropylethanamine
CID 519239
1-cycloheptylheptan-1-amine
CID 65399314
5-methyl-1-(4-propan-2-ylcyclohexyl)hexan-1-amine
CID 83161046
1-(4,5,6,7,8,9-hexahydro-1H-benzo[7]annulen-7-yl)pentan-1-amine
CID 22758134
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-(thiolan-3-yl)heptan-1-amine
CID 105126325

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine?
The IUPAC name of 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine (CID 144564960) is 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine.
What is the SMILES notation for 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine?
The canonical SMILES for 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine is CCCCC(N)C1CCC([C@H](C)N)CC1.
What is the InChIKey of 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine?
The InChIKey is QOFHZTUAEFAFMV-DCNVRKPOSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-5-13(15)12-8-6-11(7-9-12)10(2)14/h10-13H,3-9,14-15H2,1-2H3/t10-,11?,12?,13?/m0/s1.
What are the key properties of 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine?
1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S)-1-aminoethyl]cyclohexyl]pentan-1-amine is sourced from PubChem (CID 144564960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).