3,5-dimethyl-3,4-dihydro-2H-azepine;ethane

C10H19N — CID 143707514

IUPAC3,5-dimethyl-3,4-dihydro-2H-azepine;ethane
SMILESCC.CC1=CC=NCC(C)C1
InChIInChI=1S/C8H13N.C2H6/c1-7-3-4-9-6-8(2)5-7;1-2/h3-4,8H,5-6H2,1-2H3;1-2H3
InChIKeyFDTATBIXJANQBD-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds

About 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane

3,5-dimethyl-3,4-dihydro-2H-azepine;ethane (PubChem CID 143707514) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane.

Molecular Properties

Compound Name3,5-dimethyl-3,4-dihydro-2H-azepine;ethane
PubChem CID143707514
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3,5-dimethyl-3,4-dihydro-2H-azepine;ethane
SMILESCC.CC1=CC=NCC(C)C1
InChIInChI=1S/C8H13N.C2H6/c1-7-3-4-9-6-8(2)5-7;1-2/h3-4,8H,5-6H2,1-2H3;1-2H3
InChIKeyFDTATBIXJANQBD-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 135127173
(3S,7E)-8-(fluoromethyl)-3-methyl-3,4,5,6-tetrahydro-2H-azonine
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(S,e)-5-(2-methylbutylidene)-2,3,4,5-tetrahydropyridine
CID 129849200
(E)-N,5-dimethyl-4-propan-2-ylhex-2-en-1-imine
CID 134895402
4-ethyl-3,3-dimethyl-2H-pyridine
CID 21561178
2,6,9,9a-tetrahydro-1H-3-benzazepine
CID 54031920
3-(2,2-dimethylpropyl)-2H-pyrrole
CID 58234721
4-Tert-butyl-2,3-dihydropyridine
CID 59813250
2-[(E)-2,3-dimethylbut-1-enyl]-4-methyl-2,3-dihydropyridine
CID 59887795
(2E)-N-butyl-3,7-dimethylocta-2,6-dien-1-imine
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5-methyl-3,4-dihydro-2H-azepine
CID 68099594

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane?
The IUPAC name of 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane (CID 143707514) is 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane.
What is the SMILES notation for 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane?
The canonical SMILES for 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane is CC.CC1=CC=NCC(C)C1.
What is the InChIKey of 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane?
The InChIKey is FDTATBIXJANQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-7-3-4-9-6-8(2)5-7;1-2/h3-4,8H,5-6H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane?
3,5-dimethyl-3,4-dihydro-2H-azepine;ethane has a molecular weight of 153.27 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3,4-dihydro-2H-azepine;ethane is sourced from PubChem (CID 143707514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).