N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine

C12H18N2O — CID 81405595

IUPACN-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
SMILESC[C@H](NC1CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(11-2-6-13-7-3-11)14-12-4-8-15-9-5-12/h2-3,6-7,10,12,14H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyYWSJLZOWVKWUKM-JTQLQIEISA-N
MW206.29 g/mol
LogP1.91
Rot. Bonds3

About N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine

N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine (PubChem CID 81405595) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
PubChem CID81405595
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC NameN-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
SMILESC[C@H](NC1CCOCC1)c1ccncc1
InChIInChI=1S/C12H18N2O/c1-10(11-2-6-13-7-3-11)14-12-4-8-15-9-5-12/h2-3,6-7,10,12,14H,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyYWSJLZOWVKWUKM-JTQLQIEISA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-[(1R)-1-pyridin-4-ylethyl]cycloheptanamine
CID 28646598
N-[(1R)-1-(4-chlorophenyl)ethyl]oxan-4-amine
CID 81353413
N-[(1S)-1-(4-bromophenyl)ethyl]oxan-4-amine
CID 81354361
4-[1-(oxan-4-ylamino)ethyl]phenol
CID 43609894
4-propan-2-yl-N-[(1S)-1-pyridin-4-ylethyl]cyclohexan-1-amine
CID 81405525
4-propan-2-yl-N-(1-pyridin-4-ylethyl)cyclohexan-1-amine
CID 62702658
N-[1-(3,4-dichlorophenyl)ethyl]oxan-4-amine
CID 43608497
1-N-[(1S)-1-pyridin-4-ylethyl]cyclobutane-1,3-diamine
CID 81406194
3-methyl-N-[(1S)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 103562196
1-propan-2-yl-N-(1-pyridin-4-ylethyl)piperidin-4-amine
CID 43182945
N-[1-(4-methylsulfonylphenyl)ethyl]oxan-4-amine
CID 43609832

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine?
The IUPAC name of N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine (CID 81405595) is N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine.
What is the SMILES notation for N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine?
The canonical SMILES for N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine is C[C@H](NC1CCOCC1)c1ccncc1.
What is the InChIKey of N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine?
The InChIKey is YWSJLZOWVKWUKM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O/c1-10(11-2-6-13-7-3-11)14-12-4-8-15-9-5-12/h2-3,6-7,10,12,14H,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine?
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine has a molecular weight of 206.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine is sourced from PubChem (CID 81405595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).