(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine

C15H31N3 — CID 143271970

IUPAC(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine
SMILESCCN(CC)CC/C(C)=C(/C)N1CCNCC1C
InChIInChI=1S/C15H31N3/c1-6-17(7-2)10-8-13(3)15(5)18-11-9-16-12-14(18)4/h14,16H,6-12H2,1-5H3/b15-13-
InChIKeyCNEJEAUBZSUNRU-SQFISAMPSA-N
MW253.43 g/mol
LogP2.31
Rot. Bonds6

About (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine

(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine (PubChem CID 143271970) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine
PubChem CID143271970
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine
SMILESCCN(CC)CC/C(C)=C(/C)N1CCNCC1C
InChIInChI=1S/C15H31N3/c1-6-17(7-2)10-8-13(3)15(5)18-11-9-16-12-14(18)4/h14,16H,6-12H2,1-5H3/b15-13-
InChIKeyCNEJEAUBZSUNRU-SQFISAMPSA-N
XLogP2.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine?
The IUPAC name of (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine (CID 143271970) is (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine is CCN(CC)CC/C(C)=C(/C)N1CCNCC1C.
What is the InChIKey of (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine?
The InChIKey is CNEJEAUBZSUNRU-SQFISAMPSA-N. The full InChI is InChI=1S/C15H31N3/c1-6-17(7-2)10-8-13(3)15(5)18-11-9-16-12-14(18)4/h14,16H,6-12H2,1-5H3/b15-13-.
What are the key properties of (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine?
(Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-3-methyl-4-(2-methylpiperazin-1-yl)pent-3-en-1-amine is sourced from PubChem (CID 143271970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).