2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate

C11H22N2O3 — CID 83209461

IUPAC2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
SMILESCC(C)C1CC(NCCOC(N)=O)CCO1
InChIInChI=1S/C11H22N2O3/c1-8(2)10-7-9(3-5-15-10)13-4-6-16-11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCFSQLVXKDZXPBM-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.87
Rot. Bonds5

About 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate

2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate (PubChem CID 83209461) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
PubChem CID83209461
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
SMILESCC(C)C1CC(NCCOC(N)=O)CCO1
InChIInChI=1S/C11H22N2O3/c1-8(2)10-7-9(3-5-15-10)13-4-6-16-11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14)
InChIKeyCFSQLVXKDZXPBM-UHFFFAOYSA-N
XLogP0.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 112559573
N-tert-butyl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 115914511
5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829
2-[(3-methylsulfonylcyclohexyl)amino]ethyl carbamate
CID 83211078
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
2-[[(2-propan-2-yloxan-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928884
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
2-[(3-aminocyclohexyl)amino]ethyl carbamate
CID 83202906
2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
CID 115359250
4-oxo-4-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 120551271
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
tert-butyl N-[3-methyl-1-[(2-propan-2-yloxan-4-yl)amino]butan-2-yl]carbamate
CID 103930694

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate (CID 83209461) is 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate is CC(C)C1CC(NCCOC(N)=O)CCO1.
What is the InChIKey of 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate?
The InChIKey is CFSQLVXKDZXPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)10-7-9(3-5-15-10)13-4-6-16-11(12)14/h8-10,13H,3-7H2,1-2H3,(H2,12,14).
What are the key properties of 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate?
2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83209461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).