(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

C13H27AlN2 — CID 154587319

IUPAC(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](C)C
InChIInChI=1S/C11H21N2.2CH3.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;2*1H3;/q-1;;;+1/b10-7-,13-11+;;;
InChIKeyGCZNRQHYPBZSJK-SZCUYHODSA-N
MW238.35 g/mol
LogP3.72
Rot. Bonds5

About (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine

(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (PubChem CID 154587319) has the molecular formula C13H27AlN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
PubChem CID154587319
Molecular FormulaC13H27AlN2
Molecular Weight238.35 g/mol
Exact Mass238.20
IUPAC Name(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
SMILESC/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](C)C
InChIInChI=1S/C11H21N2.2CH3.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;2*1H3;/q-1;;;+1/b10-7-,13-11+;;;
InChIKeyGCZNRQHYPBZSJK-SZCUYHODSA-N
XLogP3.72
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.72
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

(4E)-N-(Propan-2-yl)-4-[(propan-2-yl)imino]pent-2-en-2-amine
CID 71353734
(Z)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 102023638
manganese(2+);bis(propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide)
CID 162407548
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
(Z)-4-methylimino-N-propan-2-ylpent-2-en-2-amine
CID 87570067
(E)-4-methylimino-N-propan-2-ylpent-2-en-2-amine
CID 87570070
4-methylimino-N-propan-2-ylpent-2-en-2-amine
CID 101425766
Ethyl-[4-[ethyl(methyl)amino]pent-3-en-2-ylidene]-methylazanium
CID 123564650
(E)-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine
CID 133676300
tris(dimethylazanide);propan-2-yl-[(Z)-4-propan-2-yliminopent-2-en-2-yl]azanide;zirconium(4+)
CID 140545989
ethane;(Z)-2-N-ethyl-4-N-methylidenepent-3-ene-2,4-diimine;propane
CID 144528118

Frequently Asked Questions

What is the IUPAC name of (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine (CID 154587319) is (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is C/C(=C/C(C)=N/C(C)C)N(C(C)C)[Al](C)C.
What is the InChIKey of (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
The InChIKey is GCZNRQHYPBZSJK-SZCUYHODSA-N. The full InChI is InChI=1S/C11H21N2.2CH3.Al/c1-8(2)12-10(5)7-11(6)13-9(3)4;;;/h7-9H,1-6H3;2*1H3;/q-1;;;+1/b10-7-,13-11+;;;.
What are the key properties of (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine?
(Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine has a molecular weight of 238.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-dimethylalumanyl-N-propan-2-yl-4-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 154587319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).