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

C7H13AlCl2N2 — CID 154587326

IUPAC(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](Cl)Cl
InChIInChI=1S/C7H13N2.Al.2ClH/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;2*1H/q-1;+3;;/p-2/b6-5-,9-7+;;;
InChIKeyVBPZGYNTQXEDRX-LAQJPSDGSA-L
MW223.08 g/mol
LogP2.38
Rot. Bonds3

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

(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 154587326) has the molecular formula C7H13AlCl2N2 and a molecular weight of 223.08 g/mol. Its IUPAC name is (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID154587326
Molecular FormulaC7H13AlCl2N2
Molecular Weight223.08 g/mol
Exact Mass222.03
IUPAC Name(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](Cl)Cl
InChIInChI=1S/C7H13N2.Al.2ClH/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;2*1H/q-1;+3;;/p-2/b6-5-,9-7+;;;
InChIKeyVBPZGYNTQXEDRX-LAQJPSDGSA-L
XLogP2.38
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.08
LogP ≤ 52.38
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]azanide
CID 58104814
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide;trichlorotitanium(1+)
CID 58635679
(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123811273
2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 123896764
(Z)-N-diethylalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 148283379
(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587308
(Z)-N-di(propan-2-yl)alumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587318
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587321
(Z)-N-dideuterioalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587322
(Z)-N-dimethylalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587325
(Z)-N-[chloro(deuterio)alumanyl]-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587327
(Z)-N-dichloroalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 154587330

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine (CID 154587326) is (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine is C/N=C(C)/C=C(/C)N(C)[Al](Cl)Cl.
What is the InChIKey of (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is VBPZGYNTQXEDRX-LAQJPSDGSA-L. The full InChI is InChI=1S/C7H13N2.Al.2ClH/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;2*1H/q-1;+3;;/p-2/b6-5-,9-7+;;;.
What are the key properties of (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 223.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 154587326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).