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

C16H26N2O — CID 66446842

IUPAC1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CC1CCCO1)C(C)c1ccccn1
InChIInChI=1S/C16H26N2O/c1-3-9-17-16(12-14-7-6-11-19-14)13(2)15-8-4-5-10-18-15/h4-5,8,10,13-14,16-17H,3,6-7,9,11-12H2,1-2H3
InChIKeyATCBCDSJMVVJCI-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.12
Rot. Bonds7

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

1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine (PubChem CID 66446842) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
PubChem CID66446842
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine
SMILESCCCNC(CC1CCCO1)C(C)c1ccccn1
InChIInChI=1S/C16H26N2O/c1-3-9-17-16(12-14-7-6-11-19-14)13(2)15-8-4-5-10-18-15/h4-5,8,10,13-14,16-17H,3,6-7,9,11-12H2,1-2H3
InChIKeyATCBCDSJMVVJCI-UHFFFAOYSA-N
XLogP3.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-bromo-4-(oxolan-2-yl)butan-2-yl]pyridine
CID 66453344
N-[2-(oxolan-2-yl)ethyl]-1-pyridin-2-ylethanamine
CID 61039958
5,5-dimethyl-N-propyl-2-pyridin-2-ylhexan-3-amine
CID 66447424
1-(2-methylcyclopentyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 107179902
2-(oxolan-2-yl)-N-[phenyl(pyridin-2-yl)methyl]ethanamine
CID 61039844
N,4-dipropyl-2-pyridin-2-ylheptan-3-amine
CID 82987036
1-(oxolan-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 66459307
2,2-difluoro-N-propyl-4-pyridin-2-ylpentan-3-amine
CID 114249556
N-propyl-2-pyridin-2-yl-1-pyridin-4-ylpropan-1-amine
CID 66447627
1-(2-methylfuran-3-yl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66448009
3-(oxolan-2-yl)-1-pyridin-2-ylpropan-1-ol
CID 65161757
N-propyl-2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 66446839

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine (CID 66446842) is 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine is CCCNC(CC1CCCO1)C(C)c1ccccn1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine?
The InChIKey is ATCBCDSJMVVJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-17-16(12-14-7-6-11-19-14)13(2)15-8-4-5-10-18-15/h4-5,8,10,13-14,16-17H,3,6-7,9,11-12H2,1-2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine?
1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine has a molecular weight of 262.40 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propyl-3-pyridin-2-ylbutan-2-amine is sourced from PubChem (CID 66446842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).