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

C17H41N3 — CID 171788933

IUPACN,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
SMILESC.CC.CCCN(C)CCC(C)CN1CCN(C)CC1
InChIInChI=1S/C14H31N3.C2H6.CH4/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-2;/h14H,5-13H2,1-4H3;1-2H3;1H4
InChIKeySBTRZDWMZMKNAD-UHFFFAOYSA-N
MW287.54 g/mol
LogP3.26
Rot. Bonds7

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

N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane (PubChem CID 171788933) has the molecular formula C17H41N3 and a molecular weight of 287.54 g/mol. Its IUPAC name is N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane.

Molecular Properties

Compound NameN,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
PubChem CID171788933
Molecular FormulaC17H41N3
Molecular Weight287.54 g/mol
Exact Mass287.33
IUPAC NameN,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane
SMILESC.CC.CCCN(C)CCC(C)CN1CCN(C)CC1
InChIInChI=1S/C14H31N3.C2H6.CH4/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-2;/h14H,5-13H2,1-4H3;1-2H3;1H4
InChIKeySBTRZDWMZMKNAD-UHFFFAOYSA-N
XLogP3.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.54
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butane;N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane
CID 171788496
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
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane?
The IUPAC name of N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane (CID 171788933) is N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane.
What is the SMILES notation for N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane?
The canonical SMILES for N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane is C.CC.CCCN(C)CCC(C)CN1CCN(C)CC1.
What is the InChIKey of N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane?
The InChIKey is SBTRZDWMZMKNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3.C2H6.CH4/c1-5-7-15(3)8-6-14(2)13-17-11-9-16(4)10-12-17;1-2;/h14H,5-13H2,1-4H3;1-2H3;1H4.
What are the key properties of N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane?
N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane has a molecular weight of 287.54 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(4-methylpiperazin-1-yl)-N-propylbutan-1-amine;ethane;methane is sourced from PubChem (CID 171788933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).