3,5,7-trimethylazepin-3-amine

C9H14N2 — CID 139360520

IUPAC3,5,7-trimethylazepin-3-amine
SMILESCC1=CC(C)(N)C=NC(C)=C1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3,10)5-7/h4-6H,10H2,1-3H3
InChIKeyTYODVRZIWFSPFF-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds

About 3,5,7-trimethylazepin-3-amine

3,5,7-trimethylazepin-3-amine (PubChem CID 139360520) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3,5,7-trimethylazepin-3-amine.

Molecular Properties

Compound Name3,5,7-trimethylazepin-3-amine
PubChem CID139360520
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3,5,7-trimethylazepin-3-amine
SMILESCC1=CC(C)(N)C=NC(C)=C1
InChIInChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3,10)5-7/h4-6H,10H2,1-3H3
InChIKeyTYODVRZIWFSPFF-UHFFFAOYSA-N
XLogP1.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-trimethylazepin-3-amine?
The IUPAC name of 3,5,7-trimethylazepin-3-amine (CID 139360520) is 3,5,7-trimethylazepin-3-amine.
What is the SMILES notation for 3,5,7-trimethylazepin-3-amine?
The canonical SMILES for 3,5,7-trimethylazepin-3-amine is CC1=CC(C)(N)C=NC(C)=C1.
What is the InChIKey of 3,5,7-trimethylazepin-3-amine?
The InChIKey is TYODVRZIWFSPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-8(2)11-6-9(3,10)5-7/h4-6H,10H2,1-3H3.
What are the key properties of 3,5,7-trimethylazepin-3-amine?
3,5,7-trimethylazepin-3-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-trimethylazepin-3-amine is sourced from PubChem (CID 139360520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).