4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine

C15H24N2O — CID 114190984

IUPAC4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESc1ccc(CNCCCCC2CCOCC2)nc1
InChIInChI=1S/C15H24N2O/c1(5-14-7-11-18-12-8-14)3-9-16-13-15-6-2-4-10-17-15/h2,4,6,10,14,16H,1,3,5,7-9,11-13H2
InChIKeyHKYPXADEJVCJDK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds7

About 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine

4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 114190984) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID114190984
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESc1ccc(CNCCCCC2CCOCC2)nc1
InChIInChI=1S/C15H24N2O/c1(5-14-7-11-18-12-8-14)3-9-16-13-15-6-2-4-10-17-15/h2,4,6,10,14,16H,1,3,5,7-9,11-13H2
InChIKeyHKYPXADEJVCJDK-UHFFFAOYSA-N
XLogP2.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
4-pyridin-2-yl-N-(pyridin-2-ylmethyl)butan-1-amine
CID 158855450
4,4,4-trifluoro-N-(pyridin-2-ylmethyl)butan-1-amine
CID 79039082
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
3-bromo-N-(pyridin-2-ylmethyl)propan-1-amine
CID 114293539
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
2-[2-(pyridin-2-ylmethylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369348
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 66370631
zinc;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;dihydrochloride
CID 73345757

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine (CID 114190984) is 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine is c1ccc(CNCCCCC2CCOCC2)nc1.
What is the InChIKey of 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is HKYPXADEJVCJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1(5-14-7-11-18-12-8-14)3-9-16-13-15-6-2-4-10-17-15/h2,4,6,10,14,16H,1,3,5,7-9,11-13H2.
What are the key properties of 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine?
4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-yl)-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 114190984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).