3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine

C10H20N2O2 — CID 142945001

IUPAC3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCC[N+](=O)[O-])C1
InChIInChI=1S/C10H20N2O2/c1-2-9-4-3-5-10(8-9)11-6-7-12(13)14/h9-11H,2-8H2,1H3
InChIKeyTZGCZGIXZHEGBO-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.82
Rot. Bonds5

About 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine

3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine (PubChem CID 142945001) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
PubChem CID142945001
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine
SMILESCCC1CCCC(NCC[N+](=O)[O-])C1
InChIInChI=1S/C10H20N2O2/c1-2-9-4-3-5-10(8-9)11-6-7-12(13)14/h9-11H,2-8H2,1H3
InChIKeyTZGCZGIXZHEGBO-UHFFFAOYSA-N
XLogP1.82
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-(2-cyclobutylethyl)-3-ethylcyclopentan-1-amine
CID 115690186
4-[(3-ethylcyclohexyl)amino]butan-2-ol
CID 64910708
5-[(3-ethylcyclohexyl)amino]pentanoic acid
CID 103253769
N-ethyl-3-[(3-ethylcyclohexyl)amino]propanamide
CID 64743974
cis-(1R,3S)-3-ethyl-N-methylcyclohexan-1-amine
CID 129149436
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078
N-(3-ethylcyclohexyl)-3,5-difluoro-2-nitroaniline
CID 115507980
N-(2,2-difluoroethyl)-3-ethylcyclohexan-1-amine
CID 64742405
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
3-ethyl-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 115699234
N-(2-chloroprop-2-enyl)-3-ethylcyclohexan-1-amine
CID 64741238

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine?
The IUPAC name of 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine (CID 142945001) is 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine is CCC1CCCC(NCC[N+](=O)[O-])C1.
What is the InChIKey of 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine?
The InChIKey is TZGCZGIXZHEGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-2-9-4-3-5-10(8-9)11-6-7-12(13)14/h9-11H,2-8H2,1H3.
What are the key properties of 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine?
3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-nitroethyl)cyclohexan-1-amine is sourced from PubChem (CID 142945001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).