2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine

C14H30N2 — CID 114544806

IUPAC2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2,3)8-12(10-15)16-11-6-7-14(4,5)9-11/h11-12,16H,6-10,15H2,1-5H3
InChIKeyNCUHMHAHHDUCGT-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.92
Rot. Bonds4

About 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine

2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine (PubChem CID 114544806) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
PubChem CID114544806
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
SMILESCC(C)(C)CC(CN)NC1CCC(C)(C)C1
InChIInChI=1S/C14H30N2/c1-13(2,3)8-12(10-15)16-11-6-7-14(4,5)9-11/h11-12,16H,6-10,15H2,1-5H3
InChIKeyNCUHMHAHHDUCGT-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544791
3-[(3,3-dimethylcyclopentyl)carbamoylamino]-5,5-dimethylhexanoic acid
CID 114549080
N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132891
N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 114544829
N-(1-methoxypentan-2-yl)-3,3-dimethylcyclopentan-1-amine
CID 80706336
N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
CID 114282994
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544888

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine (CID 114544806) is 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine is CC(C)(C)CC(CN)NC1CCC(C)(C)C1.
What is the InChIKey of 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine?
The InChIKey is NCUHMHAHHDUCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)8-12(10-15)16-11-6-7-14(4,5)9-11/h11-12,16H,6-10,15H2,1-5H3.
What are the key properties of 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine?
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine is sourced from PubChem (CID 114544806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).