N-(2-pyridin-3-ylethyl)oxepan-4-amine

C13H20N2O — CID 65082158

IUPACN-(2-pyridin-3-ylethyl)oxepan-4-amine
SMILESc1cncc(CCNC2CCCOCC2)c1
InChIInChI=1S/C13H20N2O/c1-3-12(11-14-7-1)5-8-15-13-4-2-9-16-10-6-13/h1,3,7,11,13,15H,2,4-6,8-10H2
InChIKeyWYKZHAUHLRIMPH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.78
Rot. Bonds4

About N-(2-pyridin-3-ylethyl)oxepan-4-amine

N-(2-pyridin-3-ylethyl)oxepan-4-amine (PubChem CID 65082158) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-(2-pyridin-3-ylethyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(2-pyridin-3-ylethyl)oxepan-4-amine
PubChem CID65082158
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-(2-pyridin-3-ylethyl)oxepan-4-amine
SMILESc1cncc(CCNC2CCCOCC2)c1
InChIInChI=1S/C13H20N2O/c1-3-12(11-14-7-1)5-8-15-13-4-2-9-16-10-6-13/h1,3,7,11,13,15H,2,4-6,8-10H2
InChIKeyWYKZHAUHLRIMPH-UHFFFAOYSA-N
XLogP1.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyridin-3-ylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895344
N-(2-pyridin-3-ylethyl)thian-3-amine
CID 62871449
N-(2-pyridin-3-ylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 72912791
N-(2-phenylethyl)oxan-4-amine;hydrochloride
CID 71299312
N-(2-pyridin-4-ylethyl)oxan-3-amine
CID 63363456
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
3-(oxan-4-ylmethyl)pyridine;hydrochloride
CID 175648027
N-benzyloxepan-4-amine
CID 65076712
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-[2-(3,4-dimethoxyphenyl)ethyl]oxepan-4-amine
CID 65076929
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylethyl)oxepan-4-amine?
The IUPAC name of N-(2-pyridin-3-ylethyl)oxepan-4-amine (CID 65082158) is N-(2-pyridin-3-ylethyl)oxepan-4-amine.
What is the SMILES notation for N-(2-pyridin-3-ylethyl)oxepan-4-amine?
The canonical SMILES for N-(2-pyridin-3-ylethyl)oxepan-4-amine is c1cncc(CCNC2CCCOCC2)c1.
What is the InChIKey of N-(2-pyridin-3-ylethyl)oxepan-4-amine?
The InChIKey is WYKZHAUHLRIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-12(11-14-7-1)5-8-15-13-4-2-9-16-10-6-13/h1,3,7,11,13,15H,2,4-6,8-10H2.
What are the key properties of N-(2-pyridin-3-ylethyl)oxepan-4-amine?
N-(2-pyridin-3-ylethyl)oxepan-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylethyl)oxepan-4-amine is sourced from PubChem (CID 65082158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).