N-ethyl-3-methylazepin-3-amine

C9H14N2 — CID 123760612

IUPACN-ethyl-3-methylazepin-3-amine
SMILESCCNC1(C)C=CC=CN=C1
InChIInChI=1S/C9H14N2/c1-3-11-9(2)6-4-5-7-10-8-9/h4-8,11H,3H2,1-2H3
InChIKeyXKYUZOQXQDTKAR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds2

About N-ethyl-3-methylazepin-3-amine

N-ethyl-3-methylazepin-3-amine (PubChem CID 123760612) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-ethyl-3-methylazepin-3-amine.

Molecular Properties

Compound NameN-ethyl-3-methylazepin-3-amine
PubChem CID123760612
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-ethyl-3-methylazepin-3-amine
SMILESCCNC1(C)C=CC=CN=C1
InChIInChI=1S/C9H14N2/c1-3-11-9(2)6-4-5-7-10-8-9/h4-8,11H,3H2,1-2H3
InChIKeyXKYUZOQXQDTKAR-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydropyrrolo[3,2-c]azepine
CID 129861020
[(2Z)-2,3-dimethyl-7-(methylamino)hepta-2,4,6-trienylidene]-propan-2-ylazanium
CID 59970359
3-Methylazepin-3-amine
CID 123242780
N-[(3,8,8-trimethylazocin-3-yl)methyl]ethanamine
CID 123851663
N-propyl-3H-azepin-5-amine
CID 129019211
8-Methylidene-3,7-dihydropyrido[4,3-b]azepine
CID 129144955
3,6-Dimethylazepin-3-amine
CID 132038084
N-ethenyl-3-methyl-5-propan-2-ylazepin-3-amine
CID 135136374
N-(3H-azepin-5-ylmethyl)propan-2-amine
CID 137512128
2-ethyl-N,6,6-trimethylazepin-3-amine
CID 138573251
Tert-butyl-[(2-methyl-1,2-dihydropyridin-6-yl)methylidene]azanium
CID 141900444
N-tert-butyl-3H-azepin-3-amine;molecular hydrogen
CID 141920638

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methylazepin-3-amine?
The IUPAC name of N-ethyl-3-methylazepin-3-amine (CID 123760612) is N-ethyl-3-methylazepin-3-amine.
What is the SMILES notation for N-ethyl-3-methylazepin-3-amine?
The canonical SMILES for N-ethyl-3-methylazepin-3-amine is CCNC1(C)C=CC=CN=C1.
What is the InChIKey of N-ethyl-3-methylazepin-3-amine?
The InChIKey is XKYUZOQXQDTKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-11-9(2)6-4-5-7-10-8-9/h4-8,11H,3H2,1-2H3.
What are the key properties of N-ethyl-3-methylazepin-3-amine?
N-ethyl-3-methylazepin-3-amine has a molecular weight of 150.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylazepin-3-amine is sourced from PubChem (CID 123760612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).