1,4-dimethyl-1,4-diazepan-6-amine

C7H17N3 — CID 14999039

IUPAC1,4-dimethyl-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(N)C1
InChIInChI=1S/C7H17N3/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6,8H2,1-2H3
InChIKeyRWICYHQFRMCCEX-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.81
Rot. Bonds

About 1,4-dimethyl-1,4-diazepan-6-amine

1,4-dimethyl-1,4-diazepan-6-amine (PubChem CID 14999039) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1,4-dimethyl-1,4-diazepan-6-amine.

Molecular Properties

Compound Name1,4-dimethyl-1,4-diazepan-6-amine
PubChem CID14999039
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1,4-dimethyl-1,4-diazepan-6-amine
SMILESCN1CCN(C)CC(N)C1
InChIInChI=1S/C7H17N3/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6,8H2,1-2H3
InChIKeyRWICYHQFRMCCEX-UHFFFAOYSA-N
XLogP-0.81
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-1,4-diazepan-6-amine?
The IUPAC name of 1,4-dimethyl-1,4-diazepan-6-amine (CID 14999039) is 1,4-dimethyl-1,4-diazepan-6-amine.
What is the SMILES notation for 1,4-dimethyl-1,4-diazepan-6-amine?
The canonical SMILES for 1,4-dimethyl-1,4-diazepan-6-amine is CN1CCN(C)CC(N)C1.
What is the InChIKey of 1,4-dimethyl-1,4-diazepan-6-amine?
The InChIKey is RWICYHQFRMCCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-9-3-4-10(2)6-7(8)5-9/h7H,3-6,8H2,1-2H3.
What are the key properties of 1,4-dimethyl-1,4-diazepan-6-amine?
1,4-dimethyl-1,4-diazepan-6-amine has a molecular weight of 143.23 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-1,4-diazepan-6-amine is sourced from PubChem (CID 14999039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).