(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine

C14H24N4 — CID 156812178

IUPAC(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILES[H]/N=C(C(/NC)=C(\C)C=C1CC1)\N1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-11(10-12-4-5-12)13(16-2)14(15)18-8-6-17(3)7-9-18/h10,15-16H,4-9H2,1-3H3/b13-11-,15-14-
InChIKeyDJTKKPYHAFEPIN-WABAVOORSA-N
MW248.37 g/mol
LogP1.42
Rot. Bonds3

About (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine

(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine (PubChem CID 156812178) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine
PubChem CID156812178
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine
SMILES[H]/N=C(C(/NC)=C(\C)C=C1CC1)\N1CCN(C)CC1
InChIInChI=1S/C14H24N4/c1-11(10-12-4-5-12)13(16-2)14(15)18-8-6-17(3)7-9-18/h10,15-16H,4-9H2,1-3H3/b13-11-,15-14-
InChIKeyDJTKKPYHAFEPIN-WABAVOORSA-N
XLogP1.42
TPSA42.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N,4-trimethyl-1,2-dihydropyridine-6-carboximidamide
CID 142175159

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The IUPAC name of (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine (CID 156812178) is (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine.
What is the SMILES notation for (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The canonical SMILES for (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine is [H]/N=C(C(/NC)=C(\C)C=C1CC1)\N1CCN(C)CC1.
What is the InChIKey of (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine?
The InChIKey is DJTKKPYHAFEPIN-WABAVOORSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(10-12-4-5-12)13(16-2)14(15)18-8-6-17(3)7-9-18/h10,15-16H,4-9H2,1-3H3/b13-11-,15-14-.
What are the key properties of (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine?
(Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclopropylidene-1-imino-N,3-dimethyl-1-(4-methylpiperazin-1-yl)but-2-en-2-amine is sourced from PubChem (CID 156812178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).