3,4-dimethylcyclopentane-1,2-diamine

C7H16N2 — CID 20514197

IUPAC3,4-dimethylcyclopentane-1,2-diamine
SMILESCC1CC(N)C(N)C1C
InChIInChI=1S/C7H16N2/c1-4-3-6(8)7(9)5(4)2/h4-7H,3,8-9H2,1-2H3
InChIKeyCQRBDSFUOOQGPY-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.32
Rot. Bonds

About 3,4-dimethylcyclopentane-1,2-diamine

3,4-dimethylcyclopentane-1,2-diamine (PubChem CID 20514197) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3,4-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Name3,4-dimethylcyclopentane-1,2-diamine
PubChem CID20514197
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3,4-dimethylcyclopentane-1,2-diamine
SMILESCC1CC(N)C(N)C1C
InChIInChI=1S/C7H16N2/c1-4-3-6(8)7(9)5(4)2/h4-7H,3,8-9H2,1-2H3
InChIKeyCQRBDSFUOOQGPY-UHFFFAOYSA-N
XLogP0.32
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-methylcyclopropan-1-amine;hydrochloride
CID 146012745
trans-(1R,2R)-2-methylcyclopropan-1-amine
CID 12953691
3,4,5-trimethylcyclohexan-1-amine
CID 130371803
2,3-dimethyl-5-prop-1-en-2-ylcyclopentan-1-amine
CID 131967071
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
2-amino-4,5-dimethylcyclohexan-1-ol
CID 13425492
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
8-methylcyclononane-1,2,3,4,6-pentamine
CID 156522931
(5R)-2-amino-3,4,5-trimethylcyclohexane-1-carbonitrile
CID 137427555
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
4-iodo-2,6-dimethylcyclohexan-1-amine
CID 171580818

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylcyclopentane-1,2-diamine?
The IUPAC name of 3,4-dimethylcyclopentane-1,2-diamine (CID 20514197) is 3,4-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for 3,4-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for 3,4-dimethylcyclopentane-1,2-diamine is CC1CC(N)C(N)C1C.
What is the InChIKey of 3,4-dimethylcyclopentane-1,2-diamine?
The InChIKey is CQRBDSFUOOQGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-3-6(8)7(9)5(4)2/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 3,4-dimethylcyclopentane-1,2-diamine?
3,4-dimethylcyclopentane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 20514197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).