4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine

C14H31N3 — CID 83155485

IUPAC4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)CCCN1CCN(CCCCN)CC1
InChIInChI=1S/C14H31N3/c1-14(2)6-5-9-17-12-10-16(11-13-17)8-4-3-7-15/h14H,3-13,15H2,1-2H3
InChIKeyXUAAJEYMRAJLGB-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.78
Rot. Bonds8

About 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine

4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine (PubChem CID 83155485) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
PubChem CID83155485
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)CCCN1CCN(CCCCN)CC1
InChIInChI=1S/C14H31N3/c1-14(2)6-5-9-17-12-10-16(11-13-17)8-4-3-7-15/h14H,3-13,15H2,1-2H3
InChIKeyXUAAJEYMRAJLGB-UHFFFAOYSA-N
XLogP1.78
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
5-[4-(3-methylbutylsulfonyl)piperazin-1-yl]pentan-1-amine
CID 63832633
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-4-methylpentan-1-one
CID 43251875
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-[4-(4-aminobutyl)piperazin-1-yl]-3-methylbutan-1-one
CID 43251848
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-chloro-1-(4-methylpentyl)piperidine
CID 83168582

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine (CID 83155485) is 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine is CC(C)CCCN1CCN(CCCCN)CC1.
What is the InChIKey of 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine?
The InChIKey is XUAAJEYMRAJLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2)6-5-9-17-12-10-16(11-13-17)8-4-3-7-15/h14H,3-13,15H2,1-2H3.
What are the key properties of 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine?
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 83155485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).