6-methyl-1,4-diazepan-6-amine

C6H15N3 — CID 18436453

IUPAC6-methyl-1,4-diazepan-6-amine
SMILESCC1(N)CNCCNC1
InChIInChI=1S/C6H15N3/c1-6(7)4-8-2-3-9-5-6/h8-9H,2-5,7H2,1H3
InChIKeyHRDGOMXHINSUHC-UHFFFAOYSA-N
MW129.21 g/mol
LogP-1.10
Rot. Bonds

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

6-methyl-1,4-diazepan-6-amine (PubChem CID 18436453) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is 6-methyl-1,4-diazepan-6-amine.

Molecular Properties

Compound Name6-methyl-1,4-diazepan-6-amine
PubChem CID18436453
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC Name6-methyl-1,4-diazepan-6-amine
SMILESCC1(N)CNCCNC1
InChIInChI=1S/C6H15N3/c1-6(7)4-8-2-3-9-5-6/h8-9H,2-5,7H2,1H3
InChIKeyHRDGOMXHINSUHC-UHFFFAOYSA-N
XLogP-1.10
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-diazepan-6-amine?
The IUPAC name of 6-methyl-1,4-diazepan-6-amine (CID 18436453) is 6-methyl-1,4-diazepan-6-amine.
What is the SMILES notation for 6-methyl-1,4-diazepan-6-amine?
The canonical SMILES for 6-methyl-1,4-diazepan-6-amine is CC1(N)CNCCNC1.
What is the InChIKey of 6-methyl-1,4-diazepan-6-amine?
The InChIKey is HRDGOMXHINSUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-6(7)4-8-2-3-9-5-6/h8-9H,2-5,7H2,1H3.
What are the key properties of 6-methyl-1,4-diazepan-6-amine?
6-methyl-1,4-diazepan-6-amine has a molecular weight of 129.21 g/mol, XLogP of -1.10, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-diazepan-6-amine is sourced from PubChem (CID 18436453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).