1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane

C18H45N3 — CID 166169560

IUPAC1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
SMILESCC.CC.CCCCN1CCN(C)CC1.CCCN(C)C
InChIInChI=1S/C9H20N2.C5H13N.2C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-5-6(2)3;2*1-2/h3-9H2,1-2H3;4-5H2,1-3H3;2*1-2H3
InChIKeyLVJYPLUZPIGZTN-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.04
Rot. Bonds5

About 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane

1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane (PubChem CID 166169560) has the molecular formula C18H45N3 and a molecular weight of 303.58 g/mol. Its IUPAC name is 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane.

Molecular Properties

Compound Name1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
PubChem CID166169560
Molecular FormulaC18H45N3
Molecular Weight303.58 g/mol
Exact Mass303.36
IUPAC Name1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
SMILESCC.CC.CCCCN1CCN(C)CC1.CCCN(C)C
InChIInChI=1S/C9H20N2.C5H13N.2C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-5-6(2)3;2*1-2/h3-9H2,1-2H3;4-5H2,1-3H3;2*1-2H3
InChIKeyLVJYPLUZPIGZTN-UHFFFAOYSA-N
XLogP4.04
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(4-methylpiperazin-1-yl)propan-1-amine
CID 13330581
ethane;1-methyl-4-pentylpiperazine
CID 145099418
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;ethane
CID 143417406
3-(aziridin-1-yl)-N,N-dimethylpropan-1-amine
CID 154296752
acetylene;1-methyl-4-octylpiperazine
CID 144712197
1-butylazetidine;ethane
CID 143628082
N'-butyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]ethane-1,2-diamine
CID 82892276
methane;1-methyl-4-[3-(4-propylpiperazin-1-yl)propyl]piperazine;propane
CID 156885712
1-butyl-3-methylimidazolidine;tetrachloroiron(1-)
CID 159576929
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700
2-[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]ethanol
CID 122495081
1-octylaziridine
CID 544653

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane?
The IUPAC name of 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane (CID 166169560) is 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane.
What is the SMILES notation for 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane?
The canonical SMILES for 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane is CC.CC.CCCCN1CCN(C)CC1.CCCN(C)C.
What is the InChIKey of 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane?
The InChIKey is LVJYPLUZPIGZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C5H13N.2C2H6/c1-3-4-5-11-8-6-10(2)7-9-11;1-4-5-6(2)3;2*1-2/h3-9H2,1-2H3;4-5H2,1-3H3;2*1-2H3.
What are the key properties of 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane?
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane has a molecular weight of 303.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane is sourced from PubChem (CID 166169560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).