N,4-dimethyl-4H-azepin-2-amine

C8H12N2 — CID 143729063

IUPACN,4-dimethyl-4H-azepin-2-amine
SMILESCNC1=CC(C)C=CC=N1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3-7,9H,1-2H3
InChIKeyKQMHUFSNWIDPAX-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.32
Rot. Bonds1

About N,4-dimethyl-4H-azepin-2-amine

N,4-dimethyl-4H-azepin-2-amine (PubChem CID 143729063) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N,4-dimethyl-4H-azepin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-4H-azepin-2-amine
PubChem CID143729063
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN,4-dimethyl-4H-azepin-2-amine
SMILESCNC1=CC(C)C=CC=N1
InChIInChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3-7,9H,1-2H3
InChIKeyKQMHUFSNWIDPAX-UHFFFAOYSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,6,6-trimethylazepin-2-amine
CID 141989137
(E)-1-[(Z)-[(Z)-but-2-enylidene]amino]-N,2-dimethylbut-1-en-1-amine
CID 142119780
4-methyl-4H-azepin-2-amine
CID 142198657
4,4-Dimethylazepin-1-ium
CID 142277804
N-methyl-1-(4-methylazepin-4-yl)methanamine
CID 143058955
methyl-[(2Z)-4-methylhexa-2,5-dienylidene]azanium
CID 143321971
4,4-Dimethylazepin-2-amine
CID 144993730
(4S)-4-ethyl-N-methyl-4H-azepin-2-amine
CID 166718934
(2Z,5Z)-4-methyl-N'-methylidenehexa-2,5-diene-1,6-diimine
CID 169810196
1-[[(Z)-2-ethylbut-2-enylidene]amino]-N-methylethenamine
CID 173717392
N-methyl-1-[[(2E,5Z)-4-methylocta-2,5,7-trienylidene]amino]ethanamine
CID 173722010
(6E)-N,3-dimethyl-4,5-dihydroazocin-2-amine
CID 173764936

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4H-azepin-2-amine?
The IUPAC name of N,4-dimethyl-4H-azepin-2-amine (CID 143729063) is N,4-dimethyl-4H-azepin-2-amine.
What is the SMILES notation for N,4-dimethyl-4H-azepin-2-amine?
The canonical SMILES for N,4-dimethyl-4H-azepin-2-amine is CNC1=CC(C)C=CC=N1.
What is the InChIKey of N,4-dimethyl-4H-azepin-2-amine?
The InChIKey is KQMHUFSNWIDPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-4-3-5-10-8(6-7)9-2/h3-7,9H,1-2H3.
What are the key properties of N,4-dimethyl-4H-azepin-2-amine?
N,4-dimethyl-4H-azepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4H-azepin-2-amine is sourced from PubChem (CID 143729063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).