cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine

C13H26N2 — CID 95376229

IUPACcis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
SMILESCCN1CCC[C@H]1CN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C13H26N2/c1-3-15-8-4-5-13(15)10-14-12-7-6-11(2)9-12/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyPHDNCYGJXMRPRN-XQQFMLRXSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds4

About cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine

cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine (PubChem CID 95376229) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
PubChem CID95376229
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Namecis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine
SMILESCCN1CCC[C@H]1CN[C@@H]1CC[C@H](C)C1
InChIInChI=1S/C13H26N2/c1-3-15-8-4-5-13(15)10-14-12-7-6-11(2)9-12/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1
InChIKeyPHDNCYGJXMRPRN-XQQFMLRXSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidin-4-amine
CID 43179038
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxan-4-amine
CID 93218125
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758375
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
CID 65071094
N-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 79725125
N-[(1-hexylpyrrolidin-2-yl)methyl]cyclopropanamine
CID 62581263
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106661614
tert-butyl 3-[(1-ethylpyrrolidin-2-yl)methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 113226535
1-ethyl-2-propylpyrrolidine;hydrofluoride
CID 175875195
ethane;1-ethyl-2-propylpyrrolidine
CID 143005022
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine (CID 95376229) is cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine is CCN1CCC[C@H]1CN[C@@H]1CC[C@H](C)C1.
What is the InChIKey of cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine?
The InChIKey is PHDNCYGJXMRPRN-XQQFMLRXSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-15-8-4-5-13(15)10-14-12-7-6-11(2)9-12/h11-14H,3-10H2,1-2H3/t11-,12+,13-/m0/s1.
What are the key properties of cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine?
cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 95376229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).