4-methyl-1,4-diazepan-1-amine

C6H15N3 — CID 13154318

IUPAC4-methyl-1,4-diazepan-1-amine
SMILESCN1CCCN(N)CC1
InChIInChI=1S/C6H15N3/c1-8-3-2-4-9(7)6-5-8/h2-7H2,1H3
InChIKeyCSKAHKYQYIVOIM-UHFFFAOYSA-N
MW129.21 g/mol
LogP-0.50
Rot. Bonds

About 4-methyl-1,4-diazepan-1-amine

4-methyl-1,4-diazepan-1-amine (PubChem CID 13154318) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 4-methyl-1,4-diazepan-1-amine.

Molecular Properties

Compound Name4-methyl-1,4-diazepan-1-amine
PubChem CID13154318
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name4-methyl-1,4-diazepan-1-amine
SMILESCN1CCCN(N)CC1
InChIInChI=1S/C6H15N3/c1-8-3-2-4-9(7)6-5-8/h2-7H2,1H3
InChIKeyCSKAHKYQYIVOIM-UHFFFAOYSA-N
XLogP-0.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,4-diazepan-1-amine?
The IUPAC name of 4-methyl-1,4-diazepan-1-amine (CID 13154318) is 4-methyl-1,4-diazepan-1-amine.
What is the SMILES notation for 4-methyl-1,4-diazepan-1-amine?
The canonical SMILES for 4-methyl-1,4-diazepan-1-amine is CN1CCCN(N)CC1.
What is the InChIKey of 4-methyl-1,4-diazepan-1-amine?
The InChIKey is CSKAHKYQYIVOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-8-3-2-4-9(7)6-5-8/h2-7H2,1H3.
What are the key properties of 4-methyl-1,4-diazepan-1-amine?
4-methyl-1,4-diazepan-1-amine has a molecular weight of 129.21 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,4-diazepan-1-amine is sourced from PubChem (CID 13154318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).