(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine

C10H20AlClN2 — CID 154587321

IUPAC(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](Cl)C(C)C
InChIInChI=1S/C7H13N2.C3H7.Al.ClH/c1-6(8-3)5-7(2)9-4;1-3-2;;/h5H,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b6-5-,9-7+;;;
InChIKeyDBSMNJGPEICFLQ-LAQJPSDGSA-M
MW230.72 g/mol
LogP3.05
Rot. Bonds4

About (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine

(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 154587321) has the molecular formula C10H20AlClN2 and a molecular weight of 230.72 g/mol. Its IUPAC name is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID154587321
Molecular FormulaC10H20AlClN2
Molecular Weight230.72 g/mol
Exact Mass230.11
IUPAC Name(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
SMILESC/N=C(C)/C=C(/C)N(C)[Al](Cl)C(C)C
InChIInChI=1S/C7H13N2.C3H7.Al.ClH/c1-6(8-3)5-7(2)9-4;1-3-2;;/h5H,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b6-5-,9-7+;;;
InChIKeyDBSMNJGPEICFLQ-LAQJPSDGSA-M
XLogP3.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 53.05
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

dimagnesium;hydride;bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 129892958
manganese(2+);bis(methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide)
CID 162406733
[(Z)-4-tert-butyliminopent-2-en-2-yl]-methylazanide
CID 58104802
methyl-[(Z)-4-methyliminopent-2-en-2-yl]azanide
CID 58104814
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 143330419
ethane;(Z)-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 144528051
(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(Z)-N-diethylalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 148283379
(Z)-N-diethylalumanyl-N-ethyl-4-ethyliminopent-2-en-2-amine
CID 148722617
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine (CID 154587321) is (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine is C/N=C(C)/C=C(/C)N(C)[Al](Cl)C(C)C.
What is the InChIKey of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is DBSMNJGPEICFLQ-LAQJPSDGSA-M. The full InChI is InChI=1S/C7H13N2.C3H7.Al.ClH/c1-6(8-3)5-7(2)9-4;1-3-2;;/h5H,1-4H3;3H,1-2H3;;1H/q-1;;+2;/p-1/b6-5-,9-7+;;;.
What are the key properties of (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 230.72 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 154587321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).