(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine

C13H27GaN2 — CID 166498046

IUPAC(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESCCC[Ga](CCC)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.2C3H7.Ga/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyKKBWJLYTEAWHAT-LAQJPSDGSA-N
MW281.10 g/mol
LogP3.72
Rot. Bonds7

About (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine

(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 166498046) has the molecular formula C13H27GaN2 and a molecular weight of 281.10 g/mol. Its IUPAC name is (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID166498046
Molecular FormulaC13H27GaN2
Molecular Weight281.10 g/mol
Exact Mass280.14
IUPAC Name(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESCCC[Ga](CCC)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.2C3H7.Ga/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;
InChIKeyKKBWJLYTEAWHAT-LAQJPSDGSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.10
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bis(mu2-hydrido)-bis(N,N'-dimethylpentane-2,4-diiminato-N,N')-di-magnesium(II)
CID 46238547
dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 58635679
tris(dimethylazanide);methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 59137871
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
1,4,6-Trimethyl-2-methylidenepyrimidine
CID 123254644
Methyl-pent-3-en-2-ylidene-prop-1-en-2-ylazanium
CID 123554348

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine (CID 166498046) is (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine is CCC[Ga](CCC)N(C)/C(C)=C\C(C)=N\C.
What is the InChIKey of (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is KKBWJLYTEAWHAT-LAQJPSDGSA-N. The full InChI is InChI=1S/C7H13N2.2C3H7.Ga/c1-6(8-3)5-7(2)9-4;2*1-3-2;/h5H,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b6-5-,9-7+;;;.
What are the key properties of (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 281.10 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dipropylgallanyl-N-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 166498046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).