1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine

C12H26N2 — CID 64677718

IUPAC1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
SMILESCCN(CCC(C)(C)N)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-14(10-9-12(2,3)13)11-7-5-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyLXZPAULJZJFRRL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds5

About 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine

1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine (PubChem CID 64677718) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
PubChem CID64677718
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine
SMILESCCN(CCC(C)(C)N)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-14(10-9-12(2,3)13)11-7-5-6-8-11/h11H,4-10,13H2,1-3H3
InChIKeyLXZPAULJZJFRRL-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[cyclopentyl(ethyl)amino]-2,2-dimethylbutanenitrile
CID 65251709
4-[cyclohexyl(ethyl)amino]-2,2-dimethylbutanoic acid
CID 65248233
4-[cyclopentyl(ethyl)amino]-2-methyl-2-(methylamino)butan-1-ol
CID 64797056
4-N-(3,3-dimethylbutyl)-4-N-ethylcyclohexane-1,4-diamine
CID 79116009
N,N-diethylcycloundecanamine
CID 163828609
4-[cyclohexyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 64798397
1-[cyclopentyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624455
N,N-diethylcyclobutanamine;ethane
CID 170746144
5-[cyclohexyl(ethyl)amino]-2,2-dimethylpentanimidamide
CID 65258758
1-[cyclohexyl(ethyl)amino]-4,4-dimethylpentan-3-ol
CID 55098237
N-ethyl-N-(2-thiophen-2-ylethyl)cyclohexanamine
CID 150257047
3-(aminomethyl)-6-[cyclohexyl(ethyl)amino]hexan-3-ol
CID 106811363

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine?
The IUPAC name of 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine (CID 64677718) is 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine?
The canonical SMILES for 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine is CCN(CCC(C)(C)N)C1CCCC1.
What is the InChIKey of 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine?
The InChIKey is LXZPAULJZJFRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14(10-9-12(2,3)13)11-7-5-6-8-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine?
1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopentyl-1-N-ethyl-3-methylbutane-1,3-diamine is sourced from PubChem (CID 64677718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).