N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine

C12H26N2 — CID 104744720

IUPACN'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-10(2)14(3)9-12(13)11-7-5-6-8-11/h10-12H,4-9,13H2,1-3H3
InChIKeyNSFRGOQYMIXJSY-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds5

About N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine

N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine (PubChem CID 104744720) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
PubChem CID104744720
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine
SMILESCCC(C)N(C)CC(N)C1CCCC1
InChIInChI=1S/C12H26N2/c1-4-10(2)14(3)9-12(13)11-7-5-6-8-11/h10-12H,4-9,13H2,1-3H3
InChIKeyNSFRGOQYMIXJSY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclopentyl-N'-methyl-N'-(4-methylpentan-2-yl)ethane-1,2-diamine
CID 104745466
1-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 113448166
N',1-dicyclopentyl-N'-ethylethane-1,2-diamine
CID 104744779
N'-cyclopentyl-1-cyclopropyl-N'-methylethane-1,2-diamine
CID 63914724
1-cyclohexyl-N'-cyclopentyl-N'-ethylethane-1,2-diamine
CID 104744777
1-cyclohexyl-N',N'-bis(3-methylbutyl)ethane-1,2-diamine
CID 107869689
1-cyclopentyl-N'-[1-(2-fluorophenyl)ethyl]-N'-methylethane-1,2-diamine
CID 104746052
1-cyclohexyl-N'-(cyclopropylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 104745492
1-cyclodecyl-N'-ethyl-N'-methylmethanediamine
CID 163495055
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
1-cyclopentyl-N'-(4-ethylphenyl)-N'-methylethane-1,2-diamine
CID 113448192
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine (CID 104744720) is N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine is CCC(C)N(C)CC(N)C1CCCC1.
What is the InChIKey of N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine?
The InChIKey is NSFRGOQYMIXJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-10(2)14(3)9-12(13)11-7-5-6-8-11/h10-12H,4-9,13H2,1-3H3.
What are the key properties of N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine?
N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-1-cyclopentyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 104744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).