3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine

C13H28N2 — CID 117040503

IUPAC3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(8-10-14)15(2)11-9-13-6-4-3-5-7-13/h12-13H,3-11,14H2,1-2H3
InChIKeyHAKUATVCQKMBFY-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine

3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 117040503) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
PubChem CID117040503
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CCC1CCCCC1
InChIInChI=1S/C13H28N2/c1-12(8-10-14)15(2)11-9-13-6-4-3-5-7-13/h12-13H,3-11,14H2,1-2H3
InChIKeyHAKUATVCQKMBFY-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
CID 117040502
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
2-N-methyl-2-N-[2-(3-methylcyclohexyl)ethyl]propane-1,2-diamine;hydrochloride
CID 119924723
3-[2-cyclobutylethyl(methyl)amino]butanoic acid
CID 117042297
3-N-[2-(diethylamino)ethyl]-3-N-methylbutane-1,3-diamine
CID 63223604
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
2-cycloheptatriacontylethanamine
CID 70967764
3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine (CID 117040503) is 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)CCC1CCCCC1.
What is the InChIKey of 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is HAKUATVCQKMBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-12(8-10-14)15(2)11-9-13-6-4-3-5-7-13/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine?
3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).