1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

C13H26N2 — CID 114544791

IUPAC1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCC2)C1
InChIInChI=1S/C13H26N2/c1-13(2)7-6-11(8-13)15-12(9-14)10-4-3-5-10/h10-12,15H,3-9,14H2,1-2H3
InChIKeyQIRYUGLFHDHMPN-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.28
Rot. Bonds4

About 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544791) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544791
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCC2)C1
InChIInChI=1S/C13H26N2/c1-13(2)7-6-11(8-13)15-12(9-14)10-4-3-5-10/h10-12,15H,3-9,14H2,1-2H3
InChIKeyQIRYUGLFHDHMPN-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
CID 114282994
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-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
CID 114544806
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
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
N-(3,3-dimethylcyclopentyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 114544774
1-(3,4-dichlorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544905

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544791) is 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is QIRYUGLFHDHMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-13(2)7-6-11(8-13)15-12(9-14)10-4-3-5-10/h10-12,15H,3-9,14H2,1-2H3.
What are the key properties of 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 210.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).