1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine

C16H26N2 — CID 103164338

IUPAC1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncccc1C)CC1CCC1
InChIInChI=1S/C16H26N2/c1-3-9-17-15(11-14-7-4-8-14)12-16-13(2)6-5-10-18-16/h5-6,10,14-15,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyZGGNWOCVQFPRGX-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.49
Rot. Bonds7

About 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine

1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine (PubChem CID 103164338) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
PubChem CID103164338
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ncccc1C)CC1CCC1
InChIInChI=1S/C16H26N2/c1-3-9-17-15(11-14-7-4-8-14)12-16-13(2)6-5-10-18-16/h5-6,10,14-15,17H,3-4,7-9,11-12H2,1-2H3
InChIKeyZGGNWOCVQFPRGX-UHFFFAOYSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446508
4-cyclohexyl-1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 66446892
1-(3-methyl-2-pyridinyl)-N-propylpentan-2-amine
CID 63198506
1-(3-methyl-2-pyridinyl)-N-propylbutan-2-amine
CID 63202116
1-cyclopentyl-3-(2,6-dimethylphenyl)-N-propylpropan-2-amine
CID 105024576
N-[2-cyclopentyl-1-(3-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 62604509
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
1-cycloheptyl-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 105034440
1-cyclooctyl-N-ethyl-2-(3-methyl-2-pyridinyl)ethanamine
CID 66447669
1-cyclohexyl-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 66446739
1-cyclopentyl-3-(2-methylphenyl)sulfanyl-N-propylpropan-2-amine
CID 66096136
1-(oxan-4-yl)-N-propyl-3-pyridin-2-ylpropan-2-amine
CID 62600579

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine (CID 103164338) is 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine is CCCNC(Cc1ncccc1C)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine?
The InChIKey is ZGGNWOCVQFPRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-9-17-15(11-14-7-4-8-14)12-16-13(2)6-5-10-18-16/h5-6,10,14-15,17H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine?
1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine is sourced from PubChem (CID 103164338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).