(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-ethylcyclopropanamine;hydrochloride
CID 43810659
N-[(1S,3S)-3-(ethylamino)cyclopentyl]methanesulfonamide
CID 121358992
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
N-ethyl-3-(2-methylpropyl)cyclopentan-1-amine
CID 64504045
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclodecanamine
CID 148546213
3,4-diethyl-N-methylcyclohexan-1-amine
CID 165498630
N-ethyl-3-piperidin-1-ylcyclopentan-1-amine
CID 79643289
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
3-ethoxy-N-methylcyclopentan-1-amine
CID 79642997
3-tert-butylsulfinyl-N-ethylcyclopentan-1-amine
CID 64722654

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).