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

C7H15AlN2 — CID 154587322

IUPAC(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILES[2H][Al]([2H])N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.Al.2H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;;/q-1;+1;;/b6-5-,9-7+;;;/i;;2*1+1
InChIKeyANEXEIHDFVDZID-LMINCLCTSA-N
MW156.21 g/mol
LogP0.46
Rot. Bonds3

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

(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 154587322) has the molecular formula C7H15AlN2 and a molecular weight of 156.21 g/mol. Its IUPAC name is (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID154587322
Molecular FormulaC7H15AlN2
Molecular Weight156.21 g/mol
Exact Mass156.12
IUPAC Name(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILES[2H][Al]([2H])N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.Al.2H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;;/q-1;+1;;/b6-5-,9-7+;;;/i;;2*1+1
InChIKeyANEXEIHDFVDZID-LMINCLCTSA-N
XLogP0.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.46
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

[methyl-[(Z)-4-methyliminopent-2-en-2-yl]amino]methanethiol
CID 164812818
(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587351
(Z)-N-dideuterioalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 154587361
CID 153340106
CID 153340106
N,4,5,5-tetramethylhex-3-en-2-imine
CID 123473117
N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
CID 167117244
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(Z)-N-methyl-4-methylsulfanylbut-3-en-2-imine
CID 138478171
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
3-methylimino-1-(2-methylpropoxy)but-1-en-1-amine
CID 149274729
N-butan-2-yl-4-methyliminopent-2-en-2-amine
CID 152732713

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine (CID 154587322) is (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine is [2H][Al]([2H])N(C)/C(C)=C\C(C)=N\C.
What is the InChIKey of (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is ANEXEIHDFVDZID-LMINCLCTSA-N. The full InChI is InChI=1S/C7H13N2.Al.2H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;;/q-1;+1;;/b6-5-,9-7+;;;/i;;2*1+1.
What are the key properties of (Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 156.21 g/mol, XLogP of 0.46, 3 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-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 154587322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).