1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

C17H28N2O — CID 65164814

IUPAC1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cc(C)ccn1
InChIInChI=1S/C17H28N2O/c1-3-10-18-16(17-13-14(2)9-11-19-17)8-4-6-15-7-5-12-20-15/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3
InChIKeyVJGNYQHDFWXURB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.78
Rot. Bonds8

About 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine

1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (PubChem CID 65164814) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
PubChem CID65164814
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCCO1)c1cc(C)ccn1
InChIInChI=1S/C17H28N2O/c1-3-10-18-16(17-13-14(2)9-11-19-17)8-4-6-15-7-5-12-20-15/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3
InChIKeyVJGNYQHDFWXURB-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-2-pyridinyl)-N-propyldecan-1-amine
CID 63840406
1-(4-bromo-2-methylphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993197
1-(2,5-dichlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993435
1-(4-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167488
1-(3-methoxyphenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 65167019
1-(1,3-dimethylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 102803909
1-(2-bromo-4-chlorophenyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 107993677
1-(3,4-dimethylphenyl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156280
3-(oxolan-2-yl)-N-propyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105156903
1-(3-bromothiophen-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993148
4-(oxolan-2-yl)-N-propyl-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104993082
1-(furan-2-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 65156343

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine (CID 65164814) is 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCCO1)c1cc(C)ccn1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
The InChIKey is VJGNYQHDFWXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-10-18-16(17-13-14(2)9-11-19-17)8-4-6-15-7-5-12-20-15/h9,11,13,15-16,18H,3-8,10,12H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine?
1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-4-(oxolan-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 65164814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).