1-(1,4-diazepan-5-yl)-N-methylmethanamine

C7H17N3 — CID 23090284

IUPAC1-(1,4-diazepan-5-yl)-N-methylmethanamine
SMILESCNCC1CCNCCN1
InChIInChI=1S/C7H17N3/c1-8-6-7-2-3-9-4-5-10-7/h7-10H,2-6H2,1H3
InChIKeyVBJPQQNAGQXOCA-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.84
Rot. Bonds2

About 1-(1,4-diazepan-5-yl)-N-methylmethanamine

1-(1,4-diazepan-5-yl)-N-methylmethanamine (PubChem CID 23090284) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-(1,4-diazepan-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,4-diazepan-5-yl)-N-methylmethanamine
PubChem CID23090284
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-(1,4-diazepan-5-yl)-N-methylmethanamine
SMILESCNCC1CCNCCN1
InChIInChI=1S/C7H17N3/c1-8-6-7-2-3-9-4-5-10-7/h7-10H,2-6H2,1H3
InChIKeyVBJPQQNAGQXOCA-UHFFFAOYSA-N
XLogP-0.84
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,4-diazepan-5-yl)-N-methylmethanamine (CID 23090284) is 1-(1,4-diazepan-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,4-diazepan-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,4-diazepan-5-yl)-N-methylmethanamine is CNCC1CCNCCN1.
What is the InChIKey of 1-(1,4-diazepan-5-yl)-N-methylmethanamine?
The InChIKey is VBJPQQNAGQXOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-8-6-7-2-3-9-4-5-10-7/h7-10H,2-6H2,1H3.
What are the key properties of 1-(1,4-diazepan-5-yl)-N-methylmethanamine?
1-(1,4-diazepan-5-yl)-N-methylmethanamine has a molecular weight of 143.23 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-5-yl)-N-methylmethanamine is sourced from PubChem (CID 23090284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).