2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine

C8H14N2 — CID 139386716

IUPAC2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine
SMILESCCC1=NC=CCCN1C
InChIInChI=1S/C8H14N2/c1-3-8-9-6-4-5-7-10(8)2/h4,6H,3,5,7H2,1-2H3
InChIKeyGNECGIOFUVAXBD-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.64
Rot. Bonds1

About 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine

2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine (PubChem CID 139386716) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine.

Molecular Properties

Compound Name2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine
PubChem CID139386716
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine
SMILESCCC1=NC=CCCN1C
InChIInChI=1S/C8H14N2/c1-3-8-9-6-4-5-7-10(8)2/h4,6H,3,5,7H2,1-2H3
InChIKeyGNECGIOFUVAXBD-UHFFFAOYSA-N
XLogP1.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3H-Azepin-2-amine, N,N-diethyl-
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N,N-Dibutyl-3H-azepin-2-amine
CID 20311261
1,8-Diazabicyclo(5.4.0)undecen-7-ene
CID 21979529
N,N-dimethyl-3H-azepin-2-amine
CID 15331813
N,N-diethyl-3H-azepin-2-amine-3,4,5,6,7-d5
CID 172418768
N,N-diethyl-3-fluoro-3H-azepin-2-amine
CID 86202491
N,N-diethyl-4-fluoro-3H-azepin-2-amine
CID 102123429
N,N-diethyl-2-methoxy-5H-1,3-diazepin-4-amine
CID 11159892
2-methoxy-N,N-di(propan-2-yl)-5H-1,3-diazepin-4-amine
CID 11241559
Lflknpfqfgscde-uhfffaoysa-
CID 11275224
N,N-diethyl-5H-1,3-diazepin-2-amine
CID 21579024

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine?
The IUPAC name of 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine (CID 139386716) is 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine.
What is the SMILES notation for 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine?
The canonical SMILES for 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine is CCC1=NC=CCCN1C.
What is the InChIKey of 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine?
The InChIKey is GNECGIOFUVAXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-8-9-6-4-5-7-10(8)2/h4,6H,3,5,7H2,1-2H3.
What are the key properties of 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine?
2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine has a molecular weight of 138.21 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4,5-dihydro-1,3-diazepine is sourced from PubChem (CID 139386716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).