cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine

C13H20N2 — CID 95377359

IUPACcis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
SMILESC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10-4-3-5-13(10)15-11(2)12-6-8-14-9-7-12/h6-11,13,15H,3-5H2,1-2H3/t10-,11-,13+/m0/s1
InChIKeyVPZUXEKLIDPWPP-GMXVVIOVSA-N
MW204.32 g/mol
LogP2.92
Rot. Bonds3

About cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine

cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine (PubChem CID 95377359) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
PubChem CID95377359
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Namecis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine
SMILESC[C@H](N[C@@H]1CCC[C@@H]1C)c1ccncc1
InChIInChI=1S/C13H20N2/c1-10-4-3-5-13(10)15-11(2)12-6-8-14-9-7-12/h6-11,13,15H,3-5H2,1-2H3/t10-,11-,13+/m0/s1
InChIKeyVPZUXEKLIDPWPP-GMXVVIOVSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 60713516
trans-(1R,2R)-2-(1-pyridin-4-ylethylamino)cyclopentan-1-ol
CID 102733108
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 81353352
N-[1-(4-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277047
2-methylsulfanyl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 103882855
N-[1-(4-bromophenyl)ethyl]-2-methylcyclohexan-1-amine
CID 43080246
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
2-imidazol-1-yl-N-(1-pyridin-4-ylethyl)cyclopentan-1-amine
CID 43734408
3-(1-pyridin-4-ylethylamino)cyclohexan-1-ol
CID 43751306
4-[1-[(2-methylcyclohexyl)amino]ethyl]benzonitrile
CID 43194954

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine (CID 95377359) is cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine is C[C@H](N[C@@H]1CCC[C@@H]1C)c1ccncc1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
The InChIKey is VPZUXEKLIDPWPP-GMXVVIOVSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-3-5-13(10)15-11(2)12-6-8-14-9-7-12/h6-11,13,15H,3-5H2,1-2H3/t10-,11-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine?
cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine has a molecular weight of 204.32 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclopentan-1-amine is sourced from PubChem (CID 95377359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).