1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol

C15H24N2O — CID 81407673

IUPAC1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
SMILESC[C@@H](NCC1(O)CCCCCC1)c1ccccn1
InChIInChI=1S/C15H24N2O/c1-13(14-8-4-7-11-16-14)17-12-15(18)9-5-2-3-6-10-15/h4,7-8,11,13,17-18H,2-3,5-6,9-10,12H2,1H3/t13-/m1/s1
InChIKeyJWVYNKJUWJWTHA-CYBMUJFWSA-N
MW248.37 g/mol
LogP2.82
Rot. Bonds4

About 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol

1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol (PubChem CID 81407673) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
PubChem CID81407673
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol
SMILESC[C@@H](NCC1(O)CCCCCC1)c1ccccn1
InChIInChI=1S/C15H24N2O/c1-13(14-8-4-7-11-16-14)17-12-15(18)9-5-2-3-6-10-15/h4,7-8,11,13,17-18H,2-3,5-6,9-10,12H2,1H3/t13-/m1/s1
InChIKeyJWVYNKJUWJWTHA-CYBMUJFWSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-pyridin-2-ylethylamino)methyl]cyclohexan-1-ol
CID 60909596
1-[(1-pyrazin-2-ylethylamino)methyl]cyclobutan-1-ol
CID 115718531
2-[1-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]cyclopropyl]acetonitrile
CID 81401842
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
1-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]cyclopentan-1-ol
CID 81405097
N-(cyclohexylmethyl)-1-pyridin-2-ylethanamine
CID 21279072
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
N-(1-pyridin-2-ylethyl)pent-4-yn-1-amine
CID 115872152
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396870
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396900

Frequently Asked Questions

What is the IUPAC name of 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol (CID 81407673) is 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol is C[C@@H](NCC1(O)CCCCCC1)c1ccccn1.
What is the InChIKey of 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol?
The InChIKey is JWVYNKJUWJWTHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(14-8-4-7-11-16-14)17-12-15(18)9-5-2-3-6-10-15/h4,7-8,11,13,17-18H,2-3,5-6,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol?
1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 81407673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).