2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine

C13H28N2O — CID 79414354

IUPAC2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(C)C(C)CN)C1
InChIInChI=1S/C13H28N2O/c1-4-8-16-13-6-5-7-15(10-13)12(3)11(2)9-14/h11-13H,4-10,14H2,1-3H3
InChIKeyZQZIMGGMQRNDAZ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine

2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine (PubChem CID 79414354) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
PubChem CID79414354
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine
SMILESCCCOC1CCCN(C(C)C(C)CN)C1
InChIInChI=1S/C13H28N2O/c1-4-8-16-13-6-5-7-15(10-13)12(3)11(2)9-14/h11-13H,4-10,14H2,1-3H3
InChIKeyZQZIMGGMQRNDAZ-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypiperidin-1-yl)-2-methylbutan-1-amine
CID 102968184
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
2-(3-ethoxypiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501687
2-(2-ethylphenyl)-2-(3-propoxypiperidin-1-yl)ethanamine
CID 62414680
4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 62881276
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-2-amine
CID 55069670
2,3-dimethyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 54985244
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
N'-hydroxy-2-(3-propoxypiperidin-1-yl)butanimidamide
CID 76915742
4-(3-propoxypiperidin-1-yl)cyclohexan-1-amine
CID 62806391
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
(2S)-2-phenyl-2-[(3R)-3-propoxypiperidin-1-yl]acetamide
CID 94215510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine?
The IUPAC name of 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine (CID 79414354) is 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine?
The canonical SMILES for 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine is CCCOC1CCCN(C(C)C(C)CN)C1.
What is the InChIKey of 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine?
The InChIKey is ZQZIMGGMQRNDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-8-16-13-6-5-7-15(10-13)12(3)11(2)9-14/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine?
2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-propoxypiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 79414354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).