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

C13H27InN2 — CID 166498091

IUPAC(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[In](C)C
InChIInChI=1S/C11H21N2.2CH3.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyDZDWOLIDVHJCKD-PKMVWEJNSA-N
MW326.19 g/mol
LogP3.72
Rot. Bonds7

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

(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine (PubChem CID 166498091) has the molecular formula C13H27InN2 and a molecular weight of 326.19 g/mol. Its IUPAC name is (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
PubChem CID166498091
Molecular FormulaC13H27InN2
Molecular Weight326.19 g/mol
Exact Mass326.12
IUPAC Name(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine
SMILESCCC/N=C(C)/C=C(/C)N(CCC)[In](C)C
InChIInChI=1S/C11H21N2.2CH3.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;
InChIKeyDZDWOLIDVHJCKD-PKMVWEJNSA-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 ≤ 500326.19
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine (CID 166498091) is (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine is CCC/N=C(C)/C=C(/C)N(CCC)[In](C)C.
What is the InChIKey of (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
The InChIKey is DZDWOLIDVHJCKD-PKMVWEJNSA-N. The full InChI is InChI=1S/C11H21N2.2CH3.In/c1-5-7-12-10(3)9-11(4)13-8-6-2;;;/h9H,5-8H2,1-4H3;2*1H3;/q-1;;;+1/b10-9-,13-11+;;;.
What are the key properties of (Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine?
(Z)-N-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine has a molecular weight of 326.19 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-dimethylindiganyl-N-propyl-4-propyliminopent-2-en-2-amine is sourced from PubChem (CID 166498091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).