3,4-diethylazepane

C10H21N — CID 57038913

IUPAC3,4-diethylazepane
SMILESCCC1CCCNCC1CC
InChIInChI=1S/C10H21N/c1-3-9-6-5-7-11-8-10(9)4-2/h9-11H,3-8H2,1-2H3
InChIKeyJDMPQCXOOQBNOS-UHFFFAOYSA-N
MW155.29 g/mol
LogP2.42
Rot. Bonds2

About 3,4-diethylazepane

3,4-diethylazepane (PubChem CID 57038913) has the molecular formula C10H21N and a molecular weight of 155.29 g/mol. Its IUPAC name is 3,4-diethylazepane.

Molecular Properties

Compound Name3,4-diethylazepane
PubChem CID57038913
Molecular FormulaC10H21N
Molecular Weight155.29 g/mol
Exact Mass155.17
IUPAC Name3,4-diethylazepane
SMILESCCC1CCCNCC1CC
InChIInChI=1S/C10H21N/c1-3-9-6-5-7-11-8-10(9)4-2/h9-11H,3-8H2,1-2H3
InChIKeyJDMPQCXOOQBNOS-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl)amine
CID 7791
1,3-Propanediamine, N1-(2-ethylhexyl)-
CID 114486
1H-Azepine, hexahydro-3,3,5-trimethyl-
CID 118239
4-Methylazepane
CID 19600416
4,4-Dimethylazepane hydrochloride
CID 66850259
(Cyclohexylmethyl)(propyl)amine
CID 551629
1H-Azepine, hexahydro-3,5,5-trimethyl-
CID 118240
1H-Azepine, hexahydro-1-(cyclohexylmethyl)-, hydrochloride
CID 21104
N-Methyl-2-propylpentan-1-amine--hydrogen chloride (1/1)
CID 104441
Pentylamine, N-ethyl-2-propyl-, hydrochloride
CID 104443
4-Ethylazepane
CID 17996801
4-(Propan-2-yl)azepane
CID 19964977

Frequently Asked Questions

What is the IUPAC name of 3,4-diethylazepane?
The IUPAC name of 3,4-diethylazepane (CID 57038913) is 3,4-diethylazepane.
What is the SMILES notation for 3,4-diethylazepane?
The canonical SMILES for 3,4-diethylazepane is CCC1CCCNCC1CC.
What is the InChIKey of 3,4-diethylazepane?
The InChIKey is JDMPQCXOOQBNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-3-9-6-5-7-11-8-10(9)4-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3,4-diethylazepane?
3,4-diethylazepane has a molecular weight of 155.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethylazepane is sourced from PubChem (CID 57038913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).