(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine

C15H23N3O — CID 97224310

IUPAC(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
SMILESc1cc(N2CCCC2)ncc1CN[C@H]1CCCOC1
InChIInChI=1S/C15H23N3O/c1-2-8-18(7-1)15-6-5-13(11-17-15)10-16-14-4-3-9-19-12-14/h5-6,11,14,16H,1-4,7-10,12H2/t14-/m0/s1
InChIKeyFMVYQZJAZCTFHS-AWEZNQCLSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds4

About (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine

(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine (PubChem CID 97224310) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine.

Molecular Properties

Compound Name(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
PubChem CID97224310
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine
SMILESc1cc(N2CCCC2)ncc1CN[C@H]1CCCOC1
InChIInChI=1S/C15H23N3O/c1-2-8-18(7-1)15-6-5-13(11-17-15)10-16-14-4-3-9-19-12-14/h5-6,11,14,16H,1-4,7-10,12H2/t14-/m0/s1
InChIKeyFMVYQZJAZCTFHS-AWEZNQCLSA-N
XLogP1.95
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-3-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]cyclopentan-1-amine
CID 120915183
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
1,1-di(cyclobutyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]methanamine
CID 100752528
(3R)-N-(pyrimidin-5-ylmethyl)oxan-3-amine
CID 130660711
N-[[6-(4,4-diethylpiperidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 63160054
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
N-[[4-(difluoromethyl)phenyl]methyl]oxan-3-amine
CID 113328356
2-methyl-1-(oxolan-2-ylmethyl)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 111139023
(4R)-6,8-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 97224299
4-[5-[(cyclopropylamino)methyl]-2-pyridinyl]-1,4-diazepan-2-one
CID 80635605
N-(oxolan-3-ylmethyl)-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689591

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine?
The IUPAC name of (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine (CID 97224310) is (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine.
What is the SMILES notation for (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine?
The canonical SMILES for (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine is c1cc(N2CCCC2)ncc1CN[C@H]1CCCOC1.
What is the InChIKey of (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine?
The InChIKey is FMVYQZJAZCTFHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-8-18(7-1)15-6-5-13(11-17-15)10-16-14-4-3-9-19-12-14/h5-6,11,14,16H,1-4,7-10,12H2/t14-/m0/s1.
What are the key properties of (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine?
(3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine has a molecular weight of 261.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxan-3-amine is sourced from PubChem (CID 97224310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).