4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine

C11H23N3 — CID 175936415

IUPAC4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine
SMILESCN1CCN(C(C)(C)C=CCN)CC1
InChIInChI=1S/C11H23N3/c1-11(2,5-4-6-12)14-9-7-13(3)8-10-14/h4-5H,6-10,12H2,1-3H3
InChIKeyWBXLNYKMGCEFSQ-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.53
Rot. Bonds3

About 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine

4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine (PubChem CID 175936415) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine
PubChem CID175936415
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine
SMILESCN1CCN(C(C)(C)C=CCN)CC1
InChIInChI=1S/C11H23N3/c1-11(2,5-4-6-12)14-9-7-13(3)8-10-14/h4-5H,6-10,12H2,1-3H3
InChIKeyWBXLNYKMGCEFSQ-UHFFFAOYSA-N
XLogP0.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[2-(4-methylpiperazin-1-yl)propan-2-yl]piperazine
CID 167170043
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
3-methoxy-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 62534542
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
CID 103387653
ethane;1-methyl-4-(2,3,3-trimethylpentan-2-yl)piperazine
CID 156874902
but-1-ene;ethane;4-methylpiperazin-1-amine
CID 167513278
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
acetylene;(2Z,4Z)-5-chloro-4-(4-methylpiperazin-1-yl)hexa-2,4-dien-1-amine
CID 142969803
1-tert-butyl-3-methylimidazolidine
CID 89297174
1,4-dimethylpiperazine;ethane
CID 91292414
1-methyl-4-(2,4,4-trimethylpentan-2-yl)-1,4-diazepane
CID 123694831

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine?
The IUPAC name of 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine (CID 175936415) is 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine.
What is the SMILES notation for 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine?
The canonical SMILES for 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine is CN1CCN(C(C)(C)C=CCN)CC1.
What is the InChIKey of 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine?
The InChIKey is WBXLNYKMGCEFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-11(2,5-4-6-12)14-9-7-13(3)8-10-14/h4-5H,6-10,12H2,1-3H3.
What are the key properties of 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine?
4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine has a molecular weight of 197.33 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(4-methylpiperazin-1-yl)pent-2-en-1-amine is sourced from PubChem (CID 175936415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).