2-[(4-ethylcyclohexyl)amino]ethyl carbamate

C11H22N2O2 — CID 83210087

IUPAC2-[(4-ethylcyclohexyl)amino]ethyl carbamate
SMILESCCC1CCC(NCCOC(N)=O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-9-3-5-10(6-4-9)13-7-8-15-11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyADQQBUPWJHGVRQ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.64
Rot. Bonds5

About 2-[(4-ethylcyclohexyl)amino]ethyl carbamate

2-[(4-ethylcyclohexyl)amino]ethyl carbamate (PubChem CID 83210087) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(4-ethylcyclohexyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(4-ethylcyclohexyl)amino]ethyl carbamate
PubChem CID83210087
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(4-ethylcyclohexyl)amino]ethyl carbamate
SMILESCCC1CCC(NCCOC(N)=O)CC1
InChIInChI=1S/C11H22N2O2/c1-2-9-3-5-10(6-4-9)13-7-8-15-11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14)
InChIKeyADQQBUPWJHGVRQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-propylpiperidin-4-yl)amino]ethyl carbamate
CID 83211120
2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
5-[(4-ethylcyclohexyl)amino]pentanoic acid
CID 103243784
4-ethyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 115584679
N-(2-ethoxyethyl)-4-ethylcycloheptan-1-amine
CID 65084124
4-ethyl-N-[(4-ethylcyclohexyl)methyl]cyclohexan-1-amine
CID 55192738
2-[(1-propan-2-ylazepan-4-yl)amino]ethyl carbamate
CID 83210079
N-[3-(cyclopropylmethoxy)propyl]-4-ethylcyclohexan-1-amine
CID 28718710
N'-(4-ethylcycloheptyl)ethane-1,2-diamine
CID 65083098
N-(2-but-3-enoxyethyl)-4-ethylcyclohexan-1-amine
CID 103854437
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078
4-ethyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine
CID 60920149

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylcyclohexyl)amino]ethyl carbamate?
The IUPAC name of 2-[(4-ethylcyclohexyl)amino]ethyl carbamate (CID 83210087) is 2-[(4-ethylcyclohexyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(4-ethylcyclohexyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(4-ethylcyclohexyl)amino]ethyl carbamate is CCC1CCC(NCCOC(N)=O)CC1.
What is the InChIKey of 2-[(4-ethylcyclohexyl)amino]ethyl carbamate?
The InChIKey is ADQQBUPWJHGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-9-3-5-10(6-4-9)13-7-8-15-11(12)14/h9-10,13H,2-8H2,1H3,(H2,12,14).
What are the key properties of 2-[(4-ethylcyclohexyl)amino]ethyl carbamate?
2-[(4-ethylcyclohexyl)amino]ethyl carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylcyclohexyl)amino]ethyl carbamate is sourced from PubChem (CID 83210087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).