N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine

C20H43N3 — CID 142596930

IUPACN,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
SMILESC=C(CC)N(C)C.CCCC(CCC)CCN1CCN(C)CC1
InChIInChI=1S/C14H30N2.C6H13N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-5-6(2)7(3)4/h14H,4-13H2,1-3H3;2,5H2,1,3-4H3
InChIKeyDSHNRHLHJOSJDN-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.31
Rot. Bonds9

About N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine

N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine (PubChem CID 142596930) has the molecular formula C20H43N3 and a molecular weight of 325.59 g/mol. Its IUPAC name is N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine.

Molecular Properties

Compound NameN,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
PubChem CID142596930
Molecular FormulaC20H43N3
Molecular Weight325.59 g/mol
Exact Mass325.35
IUPAC NameN,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
SMILESC=C(CC)N(C)C.CCCC(CCC)CCN1CCN(C)CC1
InChIInChI=1S/C14H30N2.C6H13N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-5-6(2)7(3)4/h14H,4-13H2,1-3H3;2,5H2,1,3-4H3
InChIKeyDSHNRHLHJOSJDN-UHFFFAOYSA-N
XLogP4.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,2-trimethyl-2-[1-(3-methylbut-1-en-2-yl)piperidin-4-yl]propan-1-amine
CID 19965468
1-But-1-en-2-yl-3-ethylpiperidine
CID 54140051
(1S)-1-cyclohexyl-N,N-dimethyl-2-(4-methylpiperazin-1-yl)prop-2-en-1-amine
CID 70301731
1-(5-Methylhex-1-en-2-yl)-4-propan-2-ylpiperazine
CID 89459515
1-(3,5-Dimethyloct-7-en-3-yl)-4-ethylpiperazine
CID 124001544
1-But-1-en-2-yl-3-(2-methylpropyl)piperidine
CID 130328575
N-[2-[1-[3-[di(nonyl)amino]prop-1-en-2-yl]piperidin-4-yl]ethyl]-N-nonylnonan-1-amine
CID 132156807
1-(1-Cyclooctylethenyl)-4-methylpiperazine
CID 138495121
1-(1-Cyclohexylethenyl)-4-methylpiperazine
CID 138495126
1-But-1-en-2-yl-4-(2-methylpropyl)piperidine
CID 138578782
N,3-dimethyl-N-[2-(4-prop-1-en-2-ylpiperidin-1-yl)prop-2-enyl]butan-1-amine;ethane
CID 142372783
N-methylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine
CID 142409406

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The IUPAC name of N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine (CID 142596930) is N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine.
What is the SMILES notation for N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The canonical SMILES for N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine is C=C(CC)N(C)C.CCCC(CCC)CCN1CCN(C)CC1.
What is the InChIKey of N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
The InChIKey is DSHNRHLHJOSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2.C6H13N/c1-4-6-14(7-5-2)8-9-16-12-10-15(3)11-13-16;1-5-6(2)7(3)4/h14H,4-13H2,1-3H3;2,5H2,1,3-4H3.
What are the key properties of N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine?
N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine has a molecular weight of 325.59 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbut-1-en-2-amine;1-methyl-4-(3-propylhexyl)piperazine is sourced from PubChem (CID 142596930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).