3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine

C18H37N3 — CID 62569572

IUPAC3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)7-10-19-15-17(3)20-13-8-18(9-14-20)21-11-5-4-6-12-21/h16-19H,4-15H2,1-3H3
InChIKeyMUJKLBRWKYTJCS-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds7

About 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine

3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine (PubChem CID 62569572) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
PubChem CID62569572
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H37N3/c1-16(2)7-10-19-15-17(3)20-13-8-18(9-14-20)21-11-5-4-6-12-21/h16-19H,4-15H2,1-3H3
InChIKeyMUJKLBRWKYTJCS-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]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

N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62568657
N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62773868
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-2-methylpropan-1-amine
CID 62446554
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
CID 66370840
4-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-amine
CID 62428370
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
CID 102968396
N-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]cyclopentanamine
CID 63167834
4-(4-piperidin-1-ylpiperidin-1-yl)pentanehydrazide
CID 63572847
3-methyl-N-propyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 63167252
2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-N-(thiophen-2-ylmethyl)propan-1-amine
CID 63167661
3-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
CID 22674972
2-(3-morpholin-4-ylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 63167437

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine (CID 62569572) is 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine is CC(C)CCNCC(C)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine?
The InChIKey is MUJKLBRWKYTJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-16(2)7-10-19-15-17(3)20-13-8-18(9-14-20)21-11-5-4-6-12-21/h16-19H,4-15H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine?
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine is sourced from PubChem (CID 62569572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).