(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

C13H26AlClN2 — CID 154587310

IUPAC(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILES[2H][Al](Cl)N(/C(=C\C(CC)=N\C(C)C)CC)C(C)C
InChIInChI=1S/C13H25N2.Al.ClH.H/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;1H;/q-1;+2;;/p-1/b12-9-,15-13+;;;/i;;;1+1
InChIKeyAYQBDWXYFBXVOJ-LSPQNZMDSA-M
MW273.81 g/mol
LogP3.76
Rot. Bonds7

About (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine

(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (PubChem CID 154587310) has the molecular formula C13H26AlClN2 and a molecular weight of 273.81 g/mol. Its IUPAC name is (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.

Molecular Properties

Compound Name(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
PubChem CID154587310
Molecular FormulaC13H26AlClN2
Molecular Weight273.81 g/mol
Exact Mass273.17
IUPAC Name(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
SMILES[2H][Al](Cl)N(/C(=C\C(CC)=N\C(C)C)CC)C(C)C
InChIInChI=1S/C13H25N2.Al.ClH.H/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;1H;/q-1;+2;;/p-1/b12-9-,15-13+;;;/i;;;1+1
InChIKeyAYQBDWXYFBXVOJ-LSPQNZMDSA-M
XLogP3.76
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 53.76
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

(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(Z)-N-diethylalumanyl-N-ethyl-5-ethyliminohept-3-en-3-amine
CID 153097017
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-[chloro(propan-2-yl)alumanyl]hept-3-en-3-amine
CID 154587302
(Z)-N-dichloroalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587303
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dideuterioalumanylhept-3-en-3-amine
CID 154587304
(Z)-N-dideuterioalumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587306
(Z)-N-dichloroalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587308
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587311
(Z)-N-butan-2-yl-5-butan-2-ylimino-N-dichloroalumanylhept-3-en-3-amine
CID 154587312
(Z)-N-[chloro(propan-2-yl)alumanyl]-N-methyl-5-methyliminohept-3-en-3-amine
CID 154587313
(Z)-N-di(propan-2-yl)alumanyl-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine
CID 154587314
(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 154587319

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The IUPAC name of (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine (CID 154587310) is (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine.
What is the SMILES notation for (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The canonical SMILES for (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is [2H][Al](Cl)N(/C(=C\C(CC)=N\C(C)C)CC)C(C)C.
What is the InChIKey of (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
The InChIKey is AYQBDWXYFBXVOJ-LSPQNZMDSA-M. The full InChI is InChI=1S/C13H25N2.Al.ClH.H/c1-7-12(14-10(3)4)9-13(8-2)15-11(5)6;;;/h9-11H,7-8H2,1-6H3;;1H;/q-1;+2;;/p-1/b12-9-,15-13+;;;/i;;;1+1.
What are the key properties of (Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine?
(Z)-N-[chloro(deuterio)alumanyl]-N-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine has a molecular weight of 273.81 g/mol, XLogP of 3.76, 7 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-propan-2-yl-5-propan-2-yliminohept-3-en-3-amine is sourced from PubChem (CID 154587310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).