(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine

C17H35InN2 — CID 166498062

IUPAC(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[In](CCC)CCC
InChIInChI=1S/C11H21N2.2C3H7.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyCRZTYMKJIFNPBS-PKMVWEJNSA-N
MW382.30 g/mol
LogP5.28
Rot. Bonds11

About (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine

(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine (PubChem CID 166498062) has the molecular formula C17H35InN2 and a molecular weight of 382.30 g/mol. Its IUPAC name is (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
PubChem CID166498062
Molecular FormulaC17H35InN2
Molecular Weight382.30 g/mol
Exact Mass382.18
IUPAC Name(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[In](CCC)CCC
InChIInChI=1S/C11H21N2.2C3H7.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyCRZTYMKJIFNPBS-PKMVWEJNSA-N
XLogP5.28
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.30
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 139102048
CID 139102048
CID 139102050
CID 139102050
Bis(4-N-methylimino-2-N-methylamino-2-pentene)bis(dimethylamido) zirconium(IV)
CID 139130801
Bis(4-N-methylimino-2-methylamino-2-pentene)bis(ethylamido) zirconium
CID 139130802
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
tris(ethyl-[(Z)-4-ethyliminopent-2-en-2-yl]azanide);titanium(3+)
CID 59137868
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
1,5,7-Tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
CID 123778578
CID 123973310
CID 123973310
propyl-[(Z)-4-propyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 140501280
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989
ethane;(2Z)-1-ethenyl-2-ethylidene-3,6-dimethylpyrazine;methane
CID 141771480

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine (CID 166498062) is (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine is CCC/N=C(C)/C=C(/C)N(CCC)[In](CCC)CCC.
What is the InChIKey of (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The InChIKey is CRZTYMKJIFNPBS-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2C3H7.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;2*1-3-2;/h9H,5-8H2,1-4H3;2*1,3H2,2H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
(Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine has a molecular weight of 382.30 g/mol, XLogP of 5.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dipropylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine is sourced from PubChem (CID 166498062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).