2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine

C12H27N3 — CID 82674179

IUPAC2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCN1CCNCC1
InChIInChI=1S/C12H27N3/c1-3-4-12(2)11-14-7-10-15-8-5-13-6-9-15/h12-14H,3-11H2,1-2H3
InChIKeyJJVTWZVUUAUTOB-UHFFFAOYSA-N
MW213.37 g/mol
LogP0.92
Rot. Bonds7

About 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine

2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine (PubChem CID 82674179) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine
PubChem CID82674179
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine
SMILESCCCC(C)CNCCN1CCNCC1
InChIInChI=1S/C12H27N3/c1-3-4-12(2)11-14-7-10-15-8-5-13-6-9-15/h12-14H,3-11H2,1-2H3
InChIKeyJJVTWZVUUAUTOB-UHFFFAOYSA-N
XLogP0.92
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 50.92
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

2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentan-1-amine
CID 61240666
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
1-(3-methylpentyl)piperazine
CID 45099566
2-methyl-3-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)propan-1-amine
CID 107911598
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-(3-piperazin-1-ylpropyl)pentan-1-amine
CID 67333838
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515
4-methyl-N-(4-piperazin-1-ylbutyl)pentan-1-amine
CID 115240408
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
N-pentan-2-yl-2-piperazin-1-ylethanesulfonamide
CID 54973633

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine (CID 82674179) is 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine is CCCC(C)CNCCN1CCNCC1.
What is the InChIKey of 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine?
The InChIKey is JJVTWZVUUAUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-4-12(2)11-14-7-10-15-8-5-13-6-9-15/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine?
2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperazin-1-ylethyl)pentan-1-amine is sourced from PubChem (CID 82674179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).