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

C12H26N2 — CID 117040502

IUPAC3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CCC1CCCC1
InChIInChI=1S/C12H26N2/c1-11(7-9-13)14(2)10-8-12-5-3-4-6-12/h11-12H,3-10,13H2,1-2H3
InChIKeyYWGGLWIJORJLJY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.24
Rot. Bonds6

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

3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine (PubChem CID 117040502) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
PubChem CID117040502
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)CCC1CCCC1
InChIInChI=1S/C12H26N2/c1-11(7-9-13)14(2)10-8-12-5-3-4-6-12/h11-12H,3-10,13H2,1-2H3
InChIKeyYWGGLWIJORJLJY-UHFFFAOYSA-N
XLogP2.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(2-cyclohexylethyl)-3-N-methylbutane-1,3-diamine
CID 117040503
N-(2-cyclobutylethyl)-N-methylpropan-2-amine
CID 117044257
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
3-N-(cyclohexylmethyl)-3-N-methylpentane-1,3-diamine
CID 61444292
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]propan-2-amine
CID 117044255
3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
3-[4-aminobutan-2-yl(methyl)amino]-N-cyclopropylpropanamide
CID 63225816
N-(4-aminobutan-2-yl)-2-cyclobutyl-N-methylacetamide
CID 103161435
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine (CID 117040502) is 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)CCC1CCCC1.
What is the InChIKey of 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is YWGGLWIJORJLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-11(7-9-13)14(2)10-8-12-5-3-4-6-12/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine?
3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyclopentylethyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 117040502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).