1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine

C14H29N3 — CID 79658450

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CN(C)CCN1C
InChIInChI=1S/C14H29N3/c1-6-7-15-13(10-12(2)3)14-11-16(4)8-9-17(14)5/h13-15H,2,6-11H2,1,3-5H3
InChIKeyHLRKVCCBFVDNJU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.57
Rot. Bonds6

About 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine

1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine (PubChem CID 79658450) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine
PubChem CID79658450
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine
SMILESC=C(C)CC(NCCC)C1CN(C)CCN1C
InChIInChI=1S/C14H29N3/c1-6-7-15-13(10-12(2)3)14-11-16(4)8-9-17(14)5/h13-15H,2,6-11H2,1,3-5H3
InChIKeyHLRKVCCBFVDNJU-UHFFFAOYSA-N
XLogP1.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine (CID 79658450) is 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine is C=C(C)CC(NCCC)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
The InChIKey is HLRKVCCBFVDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-6-7-15-13(10-12(2)3)14-11-16(4)8-9-17(14)5/h13-15H,2,6-11H2,1,3-5H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-methyl-N-propylbut-3-en-1-amine is sourced from PubChem (CID 79658450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).