3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine

C13H28N2 — CID 83055638

IUPAC3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCCCN1CC(C)CCN
InChIInChI=1S/C13H28N2/c1-3-6-13-7-4-5-10-15(13)11-12(2)8-9-14/h12-13H,3-11,14H2,1-2H3
InChIKeyKNJBZKOKRNERET-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.63
Rot. Bonds6

About 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine

3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine (PubChem CID 83055638) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
PubChem CID83055638
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCCCN1CC(C)CCN
InChIInChI=1S/C13H28N2/c1-3-6-13-7-4-5-10-15(13)11-12(2)8-9-14/h12-13H,3-11,14H2,1-2H3
InChIKeyKNJBZKOKRNERET-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-ethylpyrrolidin-1-yl)-3-methylbutan-1-amine
CID 80544432
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094
N-[2-methyl-3-(2-propylpiperidin-1-yl)propyl]cyclopropanamine
CID 83062043
2-methoxy-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 106114983
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
7-(2-ethylpiperidin-1-yl)-6-methylheptan-2-amine
CID 65296116
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
CID 83061736
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
CID 80544082
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine (CID 83055638) is 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine is CCCC1CCCCN1CC(C)CCN.
What is the InChIKey of 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine?
The InChIKey is KNJBZKOKRNERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-6-13-7-4-5-10-15(13)11-12(2)8-9-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine?
3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 83055638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).