cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine

C7H16N2 — CID 55281587

IUPACcis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@H]1N
InChIInChI=1S/C7H16N2/c1-9(2)7-5-3-4-6(7)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1
InChIKeyVCJNAZAMCYBDCP-RQJHMYQMSA-N
MW128.22 g/mol
LogP0.43
Rot. Bonds1

About cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine

cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine (PubChem CID 55281587) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Namecis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
PubChem CID55281587
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Namecis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCN(C)[C@H]1CCC[C@H]1N
InChIInChI=1S/C7H16N2/c1-9(2)7-5-3-4-6(7)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1
InChIKeyVCJNAZAMCYBDCP-RQJHMYQMSA-N
XLogP0.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-N,2-N-dimethylcyclohexane-1,2-diamine;dihydrochloride
CID 46941649
N-(2-aminocyclopentyl)-N-methylacetamide
CID 166978021
1-N-methyl-1-N-(oxan-4-yl)cyclopentane-1,2-diamine
CID 43611076
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
N,N,2-trimethylcyclopentan-1-amine
CID 23553747
1-N-[(4-fluorophenyl)methyl]-1-N-methylcyclopentane-1,2-diamine
CID 61413397
2-(3-aminopropyl)-N,N-dimethylcyclopentan-1-amine
CID 82412270
2-N-cyclopentyl-2-N-ethylcyclohexane-1,2-diamine
CID 43541047
1-N-methyl-1-N-[(3-methylcyclobutyl)methyl]cyclopentane-1,2-diamine
CID 164652854
(2S)-2-fluoro-N,N-dimethylcyclopentan-1-amine
CID 158852291
1-N-cyclopentyl-1-N-ethylcycloheptane-1,2-diamine
CID 43541082

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The IUPAC name of cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine (CID 55281587) is cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine is CN(C)[C@H]1CCC[C@H]1N.
What is the InChIKey of cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The InChIKey is VCJNAZAMCYBDCP-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2/c1-9(2)7-5-3-4-6(7)8/h6-7H,3-5,8H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N,1-N-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 55281587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).