1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol

C13H20N2O — CID 81405097

IUPAC1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
SMILESC[C@H](NCC1(O)CCCC1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(12-5-4-8-14-9-12)15-10-13(16)6-2-3-7-13/h4-5,8-9,11,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1
InChIKeyQBRXFNGFVSQPLR-NSHDSACASA-N
MW220.32 g/mol
LogP2.04
Rot. Bonds4

About 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol

1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 81405097) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
PubChem CID81405097
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
SMILESC[C@H](NCC1(O)CCCC1)c1cccnc1
InChIInChI=1S/C13H20N2O/c1-11(12-5-4-8-14-9-12)15-10-13(16)6-2-3-7-13/h4-5,8-9,11,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1
InChIKeyQBRXFNGFVSQPLR-NSHDSACASA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-pyridin-3-ylethanamine
CID 63821311
1-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]cyclopentan-1-ol
CID 81355924
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
(2S)-1-[[(1S)-1-pyridin-3-ylethyl]amino]propan-2-ol
CID 93082162
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
1-[[1-(4-tert-butylphenyl)ethylamino]methyl]cyclopentan-1-ol
CID 65105631
3-[[(1S)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 81404422
1-[[[(1R)-1-(4-bromophenyl)ethyl]amino]methyl]cyclohexan-1-ol
CID 81359958
1-[[1-(4-chlorophenyl)ethylamino]methyl]cyclohexan-1-ol
CID 54965453
1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
CID 81407673

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol (CID 81405097) is 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol is C[C@H](NCC1(O)CCCC1)c1cccnc1.
What is the InChIKey of 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is QBRXFNGFVSQPLR-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(12-5-4-8-14-9-12)15-10-13(16)6-2-3-7-13/h4-5,8-9,11,15-16H,2-3,6-7,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol?
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 81405097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).