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

C13H28N2 — CID 80544082

IUPAC3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCN(CC(C)CCN)CC1
InChIInChI=1S/C13H28N2/c1-3-4-13-6-9-15(10-7-13)11-12(2)5-8-14/h12-13H,3-11,14H2,1-2H3
InChIKeyZTFYBCCWYRPCCM-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds6

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

3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine (PubChem CID 80544082) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
PubChem CID80544082
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine
SMILESCCCC1CCN(CC(C)CCN)CC1
InChIInChI=1S/C13H28N2/c1-3-4-13-6-9-15(10-7-13)11-12(2)5-8-14/h12-13H,3-11,14H2,1-2H3
InChIKeyZTFYBCCWYRPCCM-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-4-(4-propylpiperidin-1-yl)butan-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

6-methyl-7-(4-propylpiperidin-1-yl)heptan-2-amine
CID 65295732
3-methyl-4-(4-propan-2-ylpiperidin-1-yl)butan-1-amine
CID 103497335
4-[4-(methoxymethyl)piperidin-1-yl]-3-methylbutan-1-amine
CID 80544205
1-amino-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62200170
2-methyl-5-(4-propylpiperidin-1-yl)pentan-1-amine
CID 82016996
(3S)-1-(2-methylpentyl)pyrrolidin-3-amine
CID 115302330
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
4-(4-cyclopropylpiperazin-1-yl)-3-methylbutan-1-amine
CID 80544135
4-methyl-5-(4-propan-2-ylpiperidin-1-yl)pentan-1-amine
CID 103497584
2-methyl-3-(4-propylpiperidin-1-yl)propanethioamide
CID 62199637
4-(5-methyloct-3-ynyl)-1-(2-methylpentyl)piperidine
CID 170006256

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine (CID 80544082) is 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine is CCCC1CCN(CC(C)CCN)CC1.
What is the InChIKey of 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine?
The InChIKey is ZTFYBCCWYRPCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-4-13-6-9-15(10-7-13)11-12(2)5-8-14/h12-13H,3-11,14H2,1-2H3.
What are the key properties of 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine?
3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-propylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 80544082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).