ethyl N-[2-(2-methylpentylamino)ethyl]carbamate

C11H24N2O2 — CID 115906876

IUPACethyl N-[2-(2-methylpentylamino)ethyl]carbamate
SMILESCCCC(C)CNCCNC(=O)OCC
InChIInChI=1S/C11H24N2O2/c1-4-6-10(3)9-12-7-8-13-11(14)15-5-2/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyDZRPXTHQLWQLKM-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.76
Rot. Bonds8

About ethyl N-[2-(2-methylpentylamino)ethyl]carbamate

ethyl N-[2-(2-methylpentylamino)ethyl]carbamate (PubChem CID 115906876) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethyl N-[2-(2-methylpentylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2-methylpentylamino)ethyl]carbamate
PubChem CID115906876
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Nameethyl N-[2-(2-methylpentylamino)ethyl]carbamate
SMILESCCCC(C)CNCCNC(=O)OCC
InChIInChI=1S/C11H24N2O2/c1-4-6-10(3)9-12-7-8-13-11(14)15-5-2/h10,12H,4-9H2,1-3H3,(H,13,14)
InChIKeyDZRPXTHQLWQLKM-UHFFFAOYSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.76
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

ethyl N-propylcarbamate
CID 12199
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
2-(2-methylbutylamino)ethylurea
CID 83109541
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159
methyl 2-(2-methylpentylamino)acetate
CID 43200780
ethyl N-[2-(butylcarbamoylamino)ethyl]carbamate
CID 108888216
ethyl N-[2-[[(2S)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029197
ethyl N-[2-[[(2R)-2-propan-2-ylsulfonylpropanoyl]amino]ethyl]carbamate
CID 97029196

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(2-methylpentylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(2-methylpentylamino)ethyl]carbamate (CID 115906876) is ethyl N-[2-(2-methylpentylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2-methylpentylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(2-methylpentylamino)ethyl]carbamate is CCCC(C)CNCCNC(=O)OCC.
What is the InChIKey of ethyl N-[2-(2-methylpentylamino)ethyl]carbamate?
The InChIKey is DZRPXTHQLWQLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-4-6-10(3)9-12-7-8-13-11(14)15-5-2/h10,12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of ethyl N-[2-(2-methylpentylamino)ethyl]carbamate?
ethyl N-[2-(2-methylpentylamino)ethyl]carbamate has a molecular weight of 216.32 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2-methylpentylamino)ethyl]carbamate is sourced from PubChem (CID 115906876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).