1,3-dimethyl-1,3-diazepan-2-imine

C7H15N3 — CID 70313790

IUPAC1,3-dimethyl-1,3-diazepan-2-imine
SMILES[H]N=C1N(C)CCCCN1C
InChIInChI=1S/C7H15N3/c1-9-5-3-4-6-10(2)7(9)8/h8H,3-6H2,1-2H3
InChIKeyDPWDZBGETQSFRI-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.58
Rot. Bonds

About 1,3-dimethyl-1,3-diazepan-2-imine

1,3-dimethyl-1,3-diazepan-2-imine (PubChem CID 70313790) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 1,3-dimethyl-1,3-diazepan-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-1,3-diazepan-2-imine
PubChem CID70313790
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name1,3-dimethyl-1,3-diazepan-2-imine
SMILES[H]N=C1N(C)CCCCN1C
InChIInChI=1S/C7H15N3/c1-9-5-3-4-6-10(2)7(9)8/h8H,3-6H2,1-2H3
InChIKeyDPWDZBGETQSFRI-UHFFFAOYSA-N
XLogP0.58
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,3-dimethyl-1,3-diazepan-2-imine?
The IUPAC name of 1,3-dimethyl-1,3-diazepan-2-imine (CID 70313790) is 1,3-dimethyl-1,3-diazepan-2-imine.
What is the SMILES notation for 1,3-dimethyl-1,3-diazepan-2-imine?
The canonical SMILES for 1,3-dimethyl-1,3-diazepan-2-imine is [H]N=C1N(C)CCCCN1C.
What is the InChIKey of 1,3-dimethyl-1,3-diazepan-2-imine?
The InChIKey is DPWDZBGETQSFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-9-5-3-4-6-10(2)7(9)8/h8H,3-6H2,1-2H3.
What are the key properties of 1,3-dimethyl-1,3-diazepan-2-imine?
1,3-dimethyl-1,3-diazepan-2-imine has a molecular weight of 141.22 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1,3-diazepan-2-imine is sourced from PubChem (CID 70313790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).