(2S)-1-ethyl-2-methyl-1,4-diazepane

C8H18N2 — CID 92784931

IUPAC(2S)-1-ethyl-2-methyl-1,4-diazepane
SMILESCCN1CCCNC[C@@H]1C
InChIInChI=1S/C8H18N2/c1-3-10-6-4-5-9-7-8(10)2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGSVAAWWZBRXGBU-QMMMGPOBSA-N
MW142.25 g/mol
LogP0.69
Rot. Bonds1

About (2S)-1-ethyl-2-methyl-1,4-diazepane

(2S)-1-ethyl-2-methyl-1,4-diazepane (PubChem CID 92784931) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (2S)-1-ethyl-2-methyl-1,4-diazepane.

Molecular Properties

Compound Name(2S)-1-ethyl-2-methyl-1,4-diazepane
PubChem CID92784931
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(2S)-1-ethyl-2-methyl-1,4-diazepane
SMILESCCN1CCCNC[C@@H]1C
InChIInChI=1S/C8H18N2/c1-3-10-6-4-5-9-7-8(10)2/h8-9H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyGSVAAWWZBRXGBU-QMMMGPOBSA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,7-DI-(Sec.-butyl)-diethylenetriamine
CID 292506
1-Methylhomopiperazine
CID 228349
N,N,N'-Triisopropylethylenediamine
CID 66797
N1,N1-Dimethyl-N3-(1-methylethyl)-1,3-propanediamine
CID 198460
1,4-Diazepan-6-amine
CID 34178635
1,2-Ethanediamine, N,N'-bis(1-methylpropyl)-
CID 469901
1H-1,4-Diazepine, hexahydro-1,2,2,7,7-pentamethyl-
CID 30155
1,6-Dimethyl-1,4-diazepane
CID 50987799
N~1~-(Butan-2-yl)-N~2~-(propan-2-yl)ethane-1,2-diamine
CID 469912
N-Propyl-N'-isopropylethylenediamine
CID 469913
N,N'-Diisopropyl-N-methyl-ethylenediamine
CID 469917
N1,N2-Diisopropyl-1,2-propanediamine
CID 469929

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-methyl-1,4-diazepane?
The IUPAC name of (2S)-1-ethyl-2-methyl-1,4-diazepane (CID 92784931) is (2S)-1-ethyl-2-methyl-1,4-diazepane.
What is the SMILES notation for (2S)-1-ethyl-2-methyl-1,4-diazepane?
The canonical SMILES for (2S)-1-ethyl-2-methyl-1,4-diazepane is CCN1CCCNC[C@@H]1C.
What is the InChIKey of (2S)-1-ethyl-2-methyl-1,4-diazepane?
The InChIKey is GSVAAWWZBRXGBU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2/c1-3-10-6-4-5-9-7-8(10)2/h8-9H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-methyl-1,4-diazepane?
(2S)-1-ethyl-2-methyl-1,4-diazepane has a molecular weight of 142.25 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-methyl-1,4-diazepane is sourced from PubChem (CID 92784931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).