butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane

C20H47N3 — CID 171788496

IUPACbutane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
SMILESCC.CCCC.CCCN(C)CCC(C)CN1CCN(C)CC1
InChIInChI=1S/C14H31N3.C4H10.C2H6/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-3-4-2;1-2/h14H,5-13H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyXQAQGCAKJDKHGL-UHFFFAOYSA-N
MW329.62 g/mol
LogP4.43
Rot. Bonds8

About butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane

butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane (PubChem CID 171788496) has the molecular formula C20H47N3 and a molecular weight of 329.62 g/mol. Its IUPAC name is butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane.

Molecular Properties

Compound Namebutane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
PubChem CID171788496
Molecular FormulaC20H47N3
Molecular Weight329.62 g/mol
Exact Mass329.38
IUPAC Namebutane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
SMILESCC.CCCC.CCCN(C)CCC(C)CN1CCN(C)CC1
InChIInChI=1S/C14H31N3.C4H10.C2H6/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-3-4-2;1-2/h14H,5-13H2,1-4H3;3-4H2,1-2H3;1-2H3
InChIKeyXQAQGCAKJDKHGL-UHFFFAOYSA-N
XLogP4.43
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.62
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
CID 171788933
N-ethyl-N,3-dimethyl-4-piperidin-1-ylbutan-1-amine
CID 171788339
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217
1-methyl-4-[5-methyl-6-(4-methylpiperazin-1-yl)hexan-2-yl]piperazine
CID 146233129
N,N'-dimethyl-N'-[2-[methyl(3-methylhexyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 167171519
N,3-dimethyl-N-propylbutan-1-amine;ethane
CID 143004983
N,3-dimethyl-4-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 155702513
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1-butyl-4-methylpiperazine;N,N-dimethylpropan-1-amine;ethane
CID 166169560
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361
2-[2-(4-methylpiperazin-1-yl)ethyl-propylamino]ethanol
CID 82853700

Frequently Asked Questions

What is the IUPAC name of butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane?
The IUPAC name of butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane (CID 171788496) is butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane.
What is the SMILES notation for butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane?
The canonical SMILES for butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane is CC.CCCC.CCCN(C)CCC(C)CN1CCN(C)CC1.
What is the InChIKey of butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane?
The InChIKey is XQAQGCAKJDKHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.C4H10.C2H6/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-3-4-2;1-2/h14H,5-13H2,1-4H3;3-4H2,1-2H3;1-2H3.
What are the key properties of butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane?
butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane has a molecular weight of 329.62 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane is sourced from PubChem (CID 171788496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).