3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

C12H27N3 — CID 62777232

IUPAC3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)CN1CCN(C(C)CCN)CC1
InChIInChI=1S/C12H27N3/c1-11(2)10-14-6-8-15(9-7-14)12(3)4-5-13/h11-12H,4-10,13H2,1-3H3
InChIKeyJCPLEIZVDIALAR-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds5

About 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine

3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (PubChem CID 62777232) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
PubChem CID62777232
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
SMILESCC(C)CN1CCN(C(C)CCN)CC1
InChIInChI=1S/C12H27N3/c1-11(2)10-14-6-8-15(9-7-14)12(3)4-5-13/h11-12H,4-10,13H2,1-3H3
InChIKeyJCPLEIZVDIALAR-UHFFFAOYSA-N
XLogP1.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 4742453
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384
2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]propan-2-ol
CID 65277904
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62772925
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637
1-(2-methylpropyl)-4-(4-propan-2-ylpiperazin-1-yl)piperazine
CID 175833025
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
3-(1,1-dioxo-1,4-thiazinan-4-yl)butan-1-amine
CID 60914870
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The IUPAC name of 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine (CID 62777232) is 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine.
What is the SMILES notation for 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The canonical SMILES for 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is CC(C)CN1CCN(C(C)CCN)CC1.
What is the InChIKey of 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
The InChIKey is JCPLEIZVDIALAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)10-14-6-8-15(9-7-14)12(3)4-5-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine?
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine is sourced from PubChem (CID 62777232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).