3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine

C14H22N2 — CID 81405604

IUPAC3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@@H](C)c2ccncc2)C1
InChIInChI=1S/C14H22N2/c1-3-12-4-5-14(10-12)16-11(2)13-6-8-15-9-7-13/h6-9,11-12,14,16H,3-5,10H2,1-2H3/t11-,12?,14?/m0/s1
InChIKeyGSROUMJFKUACOM-DCBWTQNWSA-N
MW218.34 g/mol
LogP3.31
Rot. Bonds4

About 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine

3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine (PubChem CID 81405604) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
PubChem CID81405604
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
SMILESCCC1CCC(N[C@@H](C)c2ccncc2)C1
InChIInChI=1S/C14H22N2/c1-3-12-4-5-14(10-12)16-11(2)13-6-8-15-9-7-13/h6-9,11-12,14,16H,3-5,10H2,1-2H3/t11-,12?,14?/m0/s1
InChIKeyGSROUMJFKUACOM-DCBWTQNWSA-N
XLogP3.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 81349259
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
4-propyl-N-(1-pyridin-4-ylethyl)cycloheptan-1-amine
CID 65087218
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
4-(2-methylbutan-2-yl)-N-[(1R)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 29054019
4-[1-[(3-ethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64502296
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
3-ethyl-N-[(1S)-1-(3-methylphenyl)ethyl]cyclopentan-1-amine
CID 81360857
3-ethyl-N-[1-(4-iodophenyl)ethyl]cyclohexan-1-amine
CID 64742976

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine (CID 81405604) is 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine is CCC1CCC(N[C@@H](C)c2ccncc2)C1.
What is the InChIKey of 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The InChIKey is GSROUMJFKUACOM-DCBWTQNWSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-4-5-14(10-12)16-11(2)13-6-8-15-9-7-13/h6-9,11-12,14,16H,3-5,10H2,1-2H3/t11-,12?,14?/m0/s1.
What are the key properties of 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine is sourced from PubChem (CID 81405604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).