4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine

C14H31N3 — CID 115240408

IUPAC4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
SMILESCC(C)CCCNCCCCN1CCNCC1
InChIInChI=1S/C14H31N3/c1-14(2)6-5-8-15-7-3-4-11-17-12-9-16-10-13-17/h14-16H,3-13H2,1-2H3
InChIKeyKQHPSLAALDIXSR-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.70
Rot. Bonds9

About 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine

4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine (PubChem CID 115240408) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
PubChem CID115240408
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
SMILESCC(C)CCCNCCCCN1CCNCC1
InChIInChI=1S/C14H31N3/c1-14(2)6-5-8-15-7-3-4-11-17-12-9-16-10-13-17/h14-16H,3-13H2,1-2H3
InChIKeyKQHPSLAALDIXSR-UHFFFAOYSA-N
XLogP1.70
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Propylpiperidine
CID 31169
Methyl(2-(4-methylpiperidin-1-yl)ethyl)amine
CID 43199381
1-Methylpiperidine-4-methylamine
CID 81574
2-(3,5-Dimethylpiperidin-1-yl)ethan-1-amine
CID 6484177
1-(2-Methylpropyl)piperazine
CID 2052052
1-Pentylpiperazine
CID 2737112
Piperidine, 4-(1-methylethyl)-
CID 140569
1-(Cyclobutylmethyl)piperazine
CID 952318
3-(4-Methylpiperidin-1-yl)propan-1-amine
CID 3149264
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
3-(3,5-Dimethylpiperidin-1-yl)propan-1-amine
CID 6487611
1-(Cyclohexylmethyl)piperazine
CID 2735885

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine?
The IUPAC name of 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine (CID 115240408) is 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine?
The canonical SMILES for 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine is CC(C)CCCNCCCCN1CCNCC1.
What is the InChIKey of 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine?
The InChIKey is KQHPSLAALDIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2)6-5-8-15-7-3-4-11-17-12-9-16-10-13-17/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine?
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine is sourced from PubChem (CID 115240408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).