4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine

C17H28N2O — CID 105034731

IUPAC4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1cccnc1
InChIInChI=1S/C17H28N2O/c1-2-10-19-16(13-15-6-5-11-18-14-15)8-9-17-7-3-4-12-20-17/h5-6,11,14,16-17,19H,2-4,7-10,12-13H2,1H3
InChIKeyDEOWPPCIVDZDHE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.34
Rot. Bonds8

About 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine

4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine (PubChem CID 105034731) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine.

Molecular Properties

Compound Name4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
PubChem CID105034731
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1cccnc1
InChIInChI=1S/C17H28N2O/c1-2-10-19-16(13-15-6-5-11-18-14-15)8-9-17-7-3-4-12-20-17/h5-6,11,14,16-17,19H,2-4,7-10,12-13H2,1H3
InChIKeyDEOWPPCIVDZDHE-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
N-[1-(oxan-2-yl)-2-pyridin-3-ylethyl]propan-1-amine
CID 105034736
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-(3-chloro-4-pyridinyl)-N-ethyl-4-(oxan-2-yl)butan-2-amine
CID 115984984
4-(oxolan-2-yl)-1-phenoxy-N-propylbutan-2-amine
CID 65164248
N-propyl-1-pyridin-3-yldecan-2-amine
CID 63416378
1-(oxan-2-yl)-3-pyridin-3-ylpropan-2-ol
CID 104736205
5,5,5-trifluoro-N-propyl-1-pyridin-3-ylpentan-2-amine
CID 64565788
N-propyl-1-pyridin-3-yl-4-pyridin-4-ylbutan-2-amine
CID 105179991
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105019959

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The IUPAC name of 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine (CID 105034731) is 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine.
What is the SMILES notation for 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The canonical SMILES for 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine is CCCNC(CCC1CCCCO1)Cc1cccnc1.
What is the InChIKey of 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
The InChIKey is DEOWPPCIVDZDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-2-10-19-16(13-15-6-5-11-18-14-15)8-9-17-7-3-4-12-20-17/h5-6,11,14,16-17,19H,2-4,7-10,12-13H2,1H3.
What are the key properties of 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine?
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine is sourced from PubChem (CID 105034731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).