(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine

C8H18N2 — CID 171100893

IUPAC(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
SMILESCCN[C@H]1CCC(NC)C1
InChIInChI=1S/C8H18N2/c1-3-10-8-5-4-7(6-8)9-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyAWEFOFGAUDTMPY-MQWKRIRWSA-N
MW142.25 g/mol
LogP0.74
Rot. Bonds3

About (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine

(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine (PubChem CID 171100893) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine.

Molecular Properties

Compound Name(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
PubChem CID171100893
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine
SMILESCCN[C@H]1CCC(NC)C1
InChIInChI=1S/C8H18N2/c1-3-10-8-5-4-7(6-8)9-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1
InChIKeyAWEFOFGAUDTMPY-MQWKRIRWSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Ethylcyclopentanamine
CID 558581
1-Methylspermidine
CID 132108
Pentyl(propan-2-yl)amine
CID 3015838
N-Propylcyclopentanamine
CID 12487536
(3S)-1-N-(4-aminobutyl)butane-1,3-diamine
CID 11819319
8-MeS8-methylspermidine
CID 53363065
N-(2-methylpropyl)cyclopentanamine
CID 28428761
5,8-Dimethylspermidine
CID 44154131
N-Butylcyclopentanamine
CID 13926513
N-(Butan-2-yl)pentan-1-amine
CID 14123011
(2-(Cyclopentylamino)ethyl)dimethylamine
CID 6486624
N-butylcyclopentanamine hydrochloride
CID 16641292

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine?
The IUPAC name of (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine (CID 171100893) is (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine.
What is the SMILES notation for (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine?
The canonical SMILES for (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine is CCN[C@H]1CCC(NC)C1.
What is the InChIKey of (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine?
The InChIKey is AWEFOFGAUDTMPY-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10-8-5-4-7(6-8)9-2/h7-10H,3-6H2,1-2H3/t7?,8-/m0/s1.
What are the key properties of (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine?
(3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-ethyl-1-N-methylcyclopentane-1,3-diamine is sourced from PubChem (CID 171100893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).