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

C12H22N2O2 — CID 115889538

IUPACethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)14-8-7-13-11(9-3-4-9)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyQZVHGHHEQFVHLD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.51
Rot. Bonds7

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

ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate (PubChem CID 115889538) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate
PubChem CID115889538
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nameethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate
SMILESCCOC(=O)NCCNC(C1CC1)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-16-12(15)14-8-7-13-11(9-3-4-9)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyQZVHGHHEQFVHLD-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.51
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-[2-(1-cyclopropylpropan-2-ylamino)ethyl]carbamate
CID 115889548
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
ethyl N-propylcarbamate
CID 12199
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
ethyl N-[2-(heptan-3-ylamino)ethyl]carbamate
CID 115889515
ethyl N-[2-(1-methylsulfonylpropan-2-ylamino)ethyl]carbamate
CID 115901299
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
ethyl N-(cyclohexylmethyl)carbamate;molecular hydrogen
CID 144717784
ethyl N-[2-(2-methylpropylcarbamoylamino)ethyl]carbamate
CID 108867369
N'-(dicyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61480803
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate (CID 115889538) is ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate is CCOC(=O)NCCNC(C1CC1)C1CC1.
What is the InChIKey of ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate?
The InChIKey is QZVHGHHEQFVHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-16-12(15)14-8-7-13-11(9-3-4-9)10-5-6-10/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate?
ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(dicyclopropylmethylamino)ethyl]carbamate is sourced from PubChem (CID 115889538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).