4,4-dimethylazepin-2-amine

C8H12N2 — CID 144993730

IUPAC4,4-dimethylazepin-2-amine
SMILESCC1(C)C=CC=NC(N)=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H,9H2,1-2H3
InChIKeyCRRMXALPMQHMAS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 4,4-dimethylazepin-2-amine

4,4-dimethylazepin-2-amine (PubChem CID 144993730) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,4-dimethylazepin-2-amine.

Molecular Properties

Compound Name4,4-dimethylazepin-2-amine
PubChem CID144993730
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,4-dimethylazepin-2-amine
SMILESCC1(C)C=CC=NC(N)=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H,9H2,1-2H3
InChIKeyCRRMXALPMQHMAS-UHFFFAOYSA-N
XLogP1.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylazepin-2-amine?
The IUPAC name of 4,4-dimethylazepin-2-amine (CID 144993730) is 4,4-dimethylazepin-2-amine.
What is the SMILES notation for 4,4-dimethylazepin-2-amine?
The canonical SMILES for 4,4-dimethylazepin-2-amine is CC1(C)C=CC=NC(N)=C1.
What is the InChIKey of 4,4-dimethylazepin-2-amine?
The InChIKey is CRRMXALPMQHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2)4-3-5-10-7(9)6-8/h3-6H,9H2,1-2H3.
What are the key properties of 4,4-dimethylazepin-2-amine?
4,4-dimethylazepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylazepin-2-amine is sourced from PubChem (CID 144993730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).