4-methyl-6-propan-2-yldiazepin-4-amine

C9H15N3 — CID 135136127

IUPAC4-methyl-6-propan-2-yldiazepin-4-amine
SMILESCC(C)C1=CC(C)(N)C=NN=C1
InChIInChI=1S/C9H15N3/c1-7(2)8-4-9(3,10)6-12-11-5-8/h4-7H,10H2,1-3H3
InChIKeyIGDBSVJXTBRANL-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.36
Rot. Bonds1

About 4-methyl-6-propan-2-yldiazepin-4-amine

4-methyl-6-propan-2-yldiazepin-4-amine (PubChem CID 135136127) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 4-methyl-6-propan-2-yldiazepin-4-amine.

Molecular Properties

Compound Name4-methyl-6-propan-2-yldiazepin-4-amine
PubChem CID135136127
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name4-methyl-6-propan-2-yldiazepin-4-amine
SMILESCC(C)C1=CC(C)(N)C=NN=C1
InChIInChI=1S/C9H15N3/c1-7(2)8-4-9(3,10)6-12-11-5-8/h4-7H,10H2,1-3H3
InChIKeyIGDBSVJXTBRANL-UHFFFAOYSA-N
XLogP1.36
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propan-2-yldiazepin-4-amine?
The IUPAC name of 4-methyl-6-propan-2-yldiazepin-4-amine (CID 135136127) is 4-methyl-6-propan-2-yldiazepin-4-amine.
What is the SMILES notation for 4-methyl-6-propan-2-yldiazepin-4-amine?
The canonical SMILES for 4-methyl-6-propan-2-yldiazepin-4-amine is CC(C)C1=CC(C)(N)C=NN=C1.
What is the InChIKey of 4-methyl-6-propan-2-yldiazepin-4-amine?
The InChIKey is IGDBSVJXTBRANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7(2)8-4-9(3,10)6-12-11-5-8/h4-7H,10H2,1-3H3.
What are the key properties of 4-methyl-6-propan-2-yldiazepin-4-amine?
4-methyl-6-propan-2-yldiazepin-4-amine has a molecular weight of 165.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propan-2-yldiazepin-4-amine is sourced from PubChem (CID 135136127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).