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

C32H75N11 — CID 159573067

IUPAC3-[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
SMILESCC(CN)CN1CCN(CC(C)CN)CC1.CC(N)CCN1CCN(CCCN)CC1.CCC(N)CN1CCN(C)CC1
InChIInChI=1S/C12H28N4.C11H26N4.C9H21N3/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14;1-11(13)3-6-15-9-7-14(8-10-15)5-2-4-12;1-3-9(10)8-12-6-4-11(2)5-7-12/h11-12H,3-10,13-14H2,1-2H3;11H,2-10,12-13H2,1H3;9H,3-8,10H2,1-2H3
InChIKeyMIBJUPCHMBSOFT-UHFFFAOYSA-N
MW614.03 g/mol
LogP-0.55
Rot. Bonds15

About 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

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 (PubChem CID 159573067) has the molecular formula C32H75N11 and a molecular weight of 614.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID159573067
Molecular FormulaC32H75N11
Molecular Weight614.03 g/mol
Exact Mass613.62
IUPAC Name3-[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
SMILESCC(CN)CN1CCN(CC(C)CN)CC1.CC(N)CCN1CCN(CCCN)CC1.CCC(N)CN1CCN(C)CC1
InChIInChI=1S/C12H28N4.C11H26N4.C9H21N3/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14;1-11(13)3-6-15-9-7-14(8-10-15)5-2-4-12;1-3-9(10)8-12-6-4-11(2)5-7-12/h11-12H,3-10,13-14H2,1-2H3;11H,2-10,12-13H2,1H3;9H,3-8,10H2,1-2H3
InChIKeyMIBJUPCHMBSOFT-UHFFFAOYSA-N
XLogP-0.55
TPSA149.54 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.03
LogP ≤ 5-0.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
3-[4-(2-methylbutyl)piperazin-1-yl]propan-1-amine
CID 62104734
2-methyl-3-(4-octylpiperazin-1-yl)propan-1-amine
CID 43252936
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]-2-methylpropan-1-amine
CID 43457112
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-(4-methylpiperazin-1-yl)hexan-2-amine
CID 60853142
1-[4-(2-aminobutyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminoethyl)piperazin-1-yl]butan-2-amine;1-[4-(2-aminopropyl)piperazin-1-yl]propan-2-amine;1-piperazin-1-ylbutan-2-amine;1-piperazin-1-ylpropan-2-amine
CID 159939568
5-[4-(3-amino-2-methylpropyl)piperazin-1-yl]pentan-1-ol
CID 62227302
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanamine;2-(3-aminopropylamino)ethanol;2-methylpentane-1,5-diamine;3-(4-methylpiperazin-1-yl)propan-1-amine;pentane-1,3-diamine;propane-1,3-diamine;3-pyrrolidin-1-ylpropan-1-amine
CID 159313870
2-methyl-3-[4-(4,4,4-trifluorobutyl)piperazin-1-yl]propan-1-amine
CID 113326267
4-(4-methylpiperazin-1-yl)butan-1-amine;hydrochloride
CID 174573387
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CN)CN1CCN(CC(C)CN)CC1.CC(N)CCN1CCN(CCCN)CC1.CCC(N)CN1CCN(C)CC1.
What is the InChIKey of 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?
The InChIKey is MIBJUPCHMBSOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4.C11H26N4.C9H21N3/c1-11(7-13)9-15-3-5-16(6-4-15)10-12(2)8-14;1-11(13)3-6-15-9-7-14(8-10-15)5-2-4-12;1-3-9(10)8-12-6-4-11(2)5-7-12/h11-12H,3-10,13-14H2,1-2H3;11H,2-10,12-13H2,1H3;9H,3-8,10H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 614.03 g/mol, XLogP of -0.55, 15 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159573067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).