6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine

C14H23N3 — CID 144812738

IUPAC6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
SMILES[H]/N=C1\C=CC(C)(C(C)C)C=NN1/C=C\C(C)C
InChIInChI=1S/C14H23N3/c1-11(2)7-9-17-13(15)6-8-14(5,10-16-17)12(3)4/h6-12,15H,1-5H3/b9-7-,15-13+
InChIKeySSUHWAHEGQREBL-JCCJWXFJSA-N
MW233.36 g/mol
LogP3.65
Rot. Bonds3

About 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine

6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine (PubChem CID 144812738) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine.

Molecular Properties

Compound Name6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
PubChem CID144812738
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine
SMILES[H]/N=C1\C=CC(C)(C(C)C)C=NN1/C=C\C(C)C
InChIInChI=1S/C14H23N3/c1-11(2)7-9-17-13(15)6-8-14(5,10-16-17)12(3)4/h6-12,15H,1-5H3/b9-7-,15-13+
InChIKeySSUHWAHEGQREBL-JCCJWXFJSA-N
XLogP3.65
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine
CID 144812724
ethane;1-[(Z)-ethylideneamino]-4-propan-2-ylpyridin-2-imine
CID 169252244
1-[(Z)-3,4-dimethylpent-1-enyl]-5-ethyl-5-methylazepin-2-imine
CID 144812746
5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812787

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?
The IUPAC name of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine (CID 144812738) is 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine.
What is the SMILES notation for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?
The canonical SMILES for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine is [H]/N=C1\C=CC(C)(C(C)C)C=NN1/C=C\C(C)C.
What is the InChIKey of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?
The InChIKey is SSUHWAHEGQREBL-JCCJWXFJSA-N. The full InChI is InChI=1S/C14H23N3/c1-11(2)7-9-17-13(15)6-8-14(5,10-16-17)12(3)4/h6-12,15H,1-5H3/b9-7-,15-13+.
What are the key properties of 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine?
6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine has a molecular weight of 233.36 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(Z)-3-methylbut-1-enyl]-6-propan-2-yldiazepin-3-imine is sourced from PubChem (CID 144812738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).