2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine

C15H25N3 — CID 144812724

IUPAC2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine
SMILES[H]/N=C1\C=CC(C)(C)C=NN1/C=C\C(C)C(C)CC
InChIInChI=1S/C15H25N3/c1-6-12(2)13(3)8-10-18-14(16)7-9-15(4,5)11-17-18/h7-13,16H,6H2,1-5H3/b10-8-,16-14+
InChIKeyRXUQNUFTOHYRLX-LMQVGZRLSA-N
MW247.39 g/mol
LogP4.04
Rot. Bonds4

About 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine

2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine (PubChem CID 144812724) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine.

Molecular Properties

Compound Name2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine
PubChem CID144812724
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine
SMILES[H]/N=C1\C=CC(C)(C)C=NN1/C=C\C(C)C(C)CC
InChIInChI=1S/C15H25N3/c1-6-12(2)13(3)8-10-18-14(16)7-9-15(4,5)11-17-18/h7-13,16H,6H2,1-5H3/b10-8-,16-14+
InChIKeyRXUQNUFTOHYRLX-LMQVGZRLSA-N
XLogP4.04
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine?
The IUPAC name of 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine (CID 144812724) is 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine.
What is the SMILES notation for 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine?
The canonical SMILES for 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine is [H]/N=C1\C=CC(C)(C)C=NN1/C=C\C(C)C(C)CC.
What is the InChIKey of 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine?
The InChIKey is RXUQNUFTOHYRLX-LMQVGZRLSA-N. The full InChI is InChI=1S/C15H25N3/c1-6-12(2)13(3)8-10-18-14(16)7-9-15(4,5)11-17-18/h7-13,16H,6H2,1-5H3/b10-8-,16-14+.
What are the key properties of 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine?
2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine has a molecular weight of 247.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3,4-dimethylhex-1-enyl]-6,6-dimethyldiazepin-3-imine is sourced from PubChem (CID 144812724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).