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

C7H14AlClN2 — CID 154587351

IUPAC(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
SMILES[2H][Al](Cl)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.Al.ClH.H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;1H;/q-1;+2;;/p-1/b6-5-,9-7+;;;/i;;;1+1
InChIKeyFKVONMIPNAZDAO-KFJRFCAKSA-M
MW189.64 g/mol
LogP1.42
Rot. Bonds3

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

(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine (PubChem CID 154587351) has the molecular formula C7H14AlClN2 and a molecular weight of 189.64 g/mol. Its IUPAC name is (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
PubChem CID154587351
Molecular FormulaC7H14AlClN2
Molecular Weight189.64 g/mol
Exact Mass189.07
IUPAC Name(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine
SMILES[2H][Al](Cl)N(C)/C(C)=C\C(C)=N\C
InChIInChI=1S/C7H13N2.Al.ClH.H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;1H;/q-1;+2;;/p-1/b6-5-,9-7+;;;/i;;;1+1
InChIKeyFKVONMIPNAZDAO-KFJRFCAKSA-M
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.42
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-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-dichloroalumanyl-N-methyl-4-methyliminopent-2-en-2-amine
CID 154587326
(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-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine (CID 154587351) is (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine is [2H][Al](Cl)N(C)/C(C)=C\C(C)=N\C.
What is the InChIKey of (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
The InChIKey is FKVONMIPNAZDAO-KFJRFCAKSA-M. The full InChI is InChI=1S/C7H13N2.Al.ClH.H/c1-6(8-3)5-7(2)9-4;;;/h5H,1-4H3;;1H;/q-1;+2;;/p-1/b6-5-,9-7+;;;/i;;;1+1.
What are the key properties of (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine?
(Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine has a molecular weight of 189.64 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[chloro(deuterio)alumanyl]-N-methyl-4-methyliminopent-2-en-2-amine is sourced from PubChem (CID 154587351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).