1-N-hexan-3-ylcyclohexane-1,3-diamine

C12H26N2 — CID 79458783

IUPAC1-N-hexan-3-ylcyclohexane-1,3-diamine
SMILESCCCC(CC)NC1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyVLBUCKPAQRBTMY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.42
Rot. Bonds5

About 1-N-hexan-3-ylcyclohexane-1,3-diamine

1-N-hexan-3-ylcyclohexane-1,3-diamine (PubChem CID 79458783) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-hexan-3-ylcyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-hexan-3-ylcyclohexane-1,3-diamine
PubChem CID79458783
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-hexan-3-ylcyclohexane-1,3-diamine
SMILESCCCC(CC)NC1CCCC(N)C1
InChIInChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3
InChIKeyVLBUCKPAQRBTMY-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-hexan-3-ylcyclobutane-1,3-diamine
CID 80562320
3-N-(1-cyclopropylbutan-2-yl)cyclopentane-1,3-diamine
CID 79461153
N-hexan-3-ylcyclopropanamine
CID 103920845
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
2-(3-aminocyclohexyl)-N-hexan-3-ylpropanamide
CID 106592741
2-[(3-aminocyclohexyl)amino]-4-methylpentan-1-ol
CID 79459156
N-hexan-3-yl-3-methylsulfanylcyclopentan-1-amine
CID 115905990
2-[(3-aminocyclohexyl)amino]-3-methoxypropan-1-ol
CID 106186892
1-N-propylcyclohexane-1,3-diamine
CID 22026573
N-(1-methoxypentan-2-yl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428506
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
1-N-(1-cyclopropylethyl)cyclohexane-1,3-diamine
CID 79458363

Frequently Asked Questions

What is the IUPAC name of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The IUPAC name of 1-N-hexan-3-ylcyclohexane-1,3-diamine (CID 79458783) is 1-N-hexan-3-ylcyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The canonical SMILES for 1-N-hexan-3-ylcyclohexane-1,3-diamine is CCCC(CC)NC1CCCC(N)C1.
What is the InChIKey of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
The InChIKey is VLBUCKPAQRBTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-6-11(4-2)14-12-8-5-7-10(13)9-12/h10-12,14H,3-9,13H2,1-2H3.
What are the key properties of 1-N-hexan-3-ylcyclohexane-1,3-diamine?
1-N-hexan-3-ylcyclohexane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-hexan-3-ylcyclohexane-1,3-diamine is sourced from PubChem (CID 79458783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).