1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine

C11H24N2 — CID 114547491

IUPAC1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
SMILESCCC(N)CNC1CCC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-4-9(12)8-13-10-5-6-11(2,3)7-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyTWAZEUDSOTYDJI-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds4

About 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine

1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine (PubChem CID 114547491) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
PubChem CID114547491
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine
SMILESCCC(N)CNC1CCC(C)(C)C1
InChIInChI=1S/C11H24N2/c1-4-9(12)8-13-10-5-6-11(2,3)7-10/h9-10,13H,4-8,12H2,1-3H3
InChIKeyTWAZEUDSOTYDJI-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3,3-dimethylcyclopentyl)-4-methoxybutane-1,2-diamine
CID 114547587
(2S)-1-N-cyclobutylbutane-1,2-diamine
CID 94424015
3,3-dimethyl-N-propylcyclopentan-1-amine
CID 20709207
1-N-cyclododecylbutane-1,2-diamine
CID 83958083
N-[[1-(aminomethyl)cyclopropyl]methyl]-3,3-dimethylcyclopentan-1-amine
CID 114547571
N-(2-ethylbutyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965730
3,3-dimethyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclopentan-1-amine
CID 80692361
3,3-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 80705127
4-[[(3,3-dimethylcyclopentyl)amino]methyl]cyclopent-2-en-1-amine
CID 114547597
(2R)-1-[(3,3-dimethylcyclohexyl)amino]propan-2-ol
CID 103884227
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
2-bromo-N-(3,3-dimethylcyclopentyl)butanamide
CID 114544484

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The IUPAC name of 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine (CID 114547491) is 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine is CCC(N)CNC1CCC(C)(C)C1.
What is the InChIKey of 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
The InChIKey is TWAZEUDSOTYDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-4-9(12)8-13-10-5-6-11(2,3)7-10/h9-10,13H,4-8,12H2,1-3H3.
What are the key properties of 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine?
1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3-dimethylcyclopentyl)butane-1,2-diamine is sourced from PubChem (CID 114547491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).