4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine

C12H27N3 — CID 43252810

IUPAC4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(C)N1CCN(CCCCN)CC1
InChIInChI=1S/C12H27N3/c1-3-12(2)15-10-8-14(9-11-15)7-5-4-6-13/h12H,3-11,13H2,1-2H3
InChIKeyJZWIMAMSXQVLOZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds6

About 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine

4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine (PubChem CID 43252810) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
PubChem CID43252810
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
SMILESCCC(C)N1CCN(CCCCN)CC1
InChIInChI=1S/C12H27N3/c1-3-12(2)15-10-8-14(9-11-15)7-5-4-6-13/h12H,3-11,13H2,1-2H3
InChIKeyJZWIMAMSXQVLOZ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
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

5-(4-butan-2-ylpiperazin-1-yl)pentanenitrile
CID 62774224
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
3-(4-butan-2-ylpiperazin-1-yl)propanamide
CID 62772700
3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
CID 107895614
4-[4-(4-methylpentyl)piperazin-1-yl]butan-1-amine
CID 83155485
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
1-[4-(4-aminobutyl)piperazin-1-yl]-2-methylbutan-1-one
CID 43251822

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine?
The IUPAC name of 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine (CID 43252810) is 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine is CCC(C)N1CCN(CCCCN)CC1.
What is the InChIKey of 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine?
The InChIKey is JZWIMAMSXQVLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-12(2)15-10-8-14(9-11-15)7-5-4-6-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine?
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine is sourced from PubChem (CID 43252810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).