3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine

C12H27N3 — CID 62104734

IUPAC3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
SMILESCCC(C)CN1CCN(CCCN)CC1
InChIInChI=1S/C12H27N3/c1-3-12(2)11-15-9-7-14(8-10-15)6-4-5-13/h12H,3-11,13H2,1-2H3
InChIKeyWCONKRDREUZOEA-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.00
Rot. Bonds6

About 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine

3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine (PubChem CID 62104734) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
PubChem CID62104734
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
SMILESCCC(C)CN1CCN(CCCN)CC1
InChIInChI=1S/C12H27N3/c1-3-12(2)11-15-9-7-14(8-10-15)6-4-5-13/h12H,3-11,13H2,1-2H3
InChIKeyWCONKRDREUZOEA-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(2-bromoethyl)-4-(2-methylbutyl)piperazine
CID 80674253
3-(4-butylpiperazin-1-yl)propan-1-amine
CID 15485218
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine
CID 159573067
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
1-(2-bromoethyl)-4-(2-methylbutyl)-1,4-diazepane
CID 80667299
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
3-[4-(2-methylbutyl)piperazin-1-yl]propanoic acid
CID 62104961
3-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-2-methylpropan-1-amine;4-[4-(3-aminopropyl)piperazin-1-yl]butan-2-amine;1-(4-ethylpiperazin-1-yl)propan-2-amine;1-(4-methylpiperazin-1-yl)butan-2-amine;1-(4-methylpiperazin-1-yl)propan-2-amine
CID 158134153
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine (CID 62104734) is 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine is CCC(C)CN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine?
The InChIKey is WCONKRDREUZOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-3-12(2)11-15-9-7-14(8-10-15)6-4-5-13/h12H,3-11,13H2,1-2H3.
What are the key properties of 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine?
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62104734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).