1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine

C13H28N2 — CID 62200817

IUPAC1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCCCCC(C)NCC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-3-4-8-12(2)15-11-13(14)9-6-5-7-10-13/h12,15H,3-11,14H2,1-2H3
InChIKeyJHNOXZXLVAVNHJ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.82
Rot. Bonds6

About 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine

1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine (PubChem CID 62200817) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
PubChem CID62200817
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine
SMILESCCCCC(C)NCC1(N)CCCCC1
InChIInChI=1S/C13H28N2/c1-3-4-8-12(2)15-11-13(14)9-6-5-7-10-13/h12,15H,3-11,14H2,1-2H3
InChIKeyJHNOXZXLVAVNHJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(hexan-2-ylamino)methyl]cyclopentan-1-amine
CID 62199878
1-[(hexan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105584
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
4-[(hexan-2-ylamino)methyl]thian-4-ol
CID 115722101
1-[(nonan-2-ylamino)methyl]cyclopentan-1-ol
CID 65105272
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
CID 104678802
1-butylcyclohexan-1-amine
CID 13182498
N-[(3-methylpiperidin-3-yl)methyl]heptan-2-amine
CID 63133078
1-butylcyclohexan-1-amine;hydrochloride
CID 45264189
N-[(4-methylsulfanyloxan-4-yl)methyl]hexan-2-amine
CID 115892010
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655

Frequently Asked Questions

What is the IUPAC name of 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine?
The IUPAC name of 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine (CID 62200817) is 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine is CCCCC(C)NCC1(N)CCCCC1.
What is the InChIKey of 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine?
The InChIKey is JHNOXZXLVAVNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-8-12(2)15-11-13(14)9-6-5-7-10-13/h12,15H,3-11,14H2,1-2H3.
What are the key properties of 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine?
1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hexan-2-ylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 62200817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).