(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine

C9H19AlN2 — CID 154587361

IUPAC(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
SMILES[2H][Al]([2H])N(C)/C(=C\C(CC)=N\C)CC
InChIInChI=1S/C9H17N2.Al.2H/c1-5-8(10-3)7-9(6-2)11-4;;;/h7H,5-6H2,1-4H3;;;/q-1;+1;;/b8-7-,11-9+;;;/i;;2*1+1
InChIKeyDQPOLOBBJXSITO-YCMLICRBSA-N
MW184.26 g/mol
LogP1.24
Rot. Bonds5

About (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine

(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine (PubChem CID 154587361) has the molecular formula C9H19AlN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
PubChem CID154587361
Molecular FormulaC9H19AlN2
Molecular Weight184.26 g/mol
Exact Mass184.15
IUPAC Name(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
SMILES[2H][Al]([2H])N(C)/C(=C\C(CC)=N\C)CC
InChIInChI=1S/C9H17N2.Al.2H/c1-5-8(10-3)7-9(6-2)11-4;;;/h7H,5-6H2,1-4H3;;;/q-1;+1;;/b8-7-,11-9+;;;/i;;2*1+1
InChIKeyDQPOLOBBJXSITO-YCMLICRBSA-N
XLogP1.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.24
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-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine (CID 154587361) is (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine is [2H][Al]([2H])N(C)/C(=C\C(CC)=N\C)CC.
What is the InChIKey of (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine?
The InChIKey is DQPOLOBBJXSITO-YCMLICRBSA-N. The full InChI is InChI=1S/C9H17N2.Al.2H/c1-5-8(10-3)7-9(6-2)11-4;;;/h7H,5-6H2,1-4H3;;;/q-1;+1;;/b8-7-,11-9+;;;/i;;2*1+1.
What are the key properties of (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine?
(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine has a molecular weight of 184.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine is sourced from PubChem (CID 154587361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).