2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate

C12H24N2O2 — CID 83211755

IUPAC2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate
SMILESCC(C)C1CCCCC1NCCOC(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)10-5-3-4-6-11(10)14-7-8-16-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyBYKMSASBIWPEIC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.89
Rot. Bonds5

About 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate

2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate (PubChem CID 83211755) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate
PubChem CID83211755
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate
SMILESCC(C)C1CCCCC1NCCOC(N)=O
InChIInChI=1S/C12H24N2O2/c1-9(2)10-5-3-4-6-11(10)14-7-8-16-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyBYKMSASBIWPEIC-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate (CID 83211755) is 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate is CC(C)C1CCCCC1NCCOC(N)=O.
What is the InChIKey of 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate?
The InChIKey is BYKMSASBIWPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10-5-3-4-6-11(10)14-7-8-16-12(13)15/h9-11,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate?
2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylcyclohexyl)amino]ethyl carbamate is sourced from PubChem (CID 83211755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).