propan-2-yl N-[2-(diethylamino)ethyl]carbamate

C10H22N2O2 — CID 116653752

IUPACpropan-2-yl N-[2-(diethylamino)ethyl]carbamate
SMILESCCN(CC)CCNC(=O)OC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(6-2)8-7-11-10(13)14-9(3)4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZVULXBJYIDLLTC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.46
Rot. Bonds6

About propan-2-yl N-[2-(diethylamino)ethyl]carbamate

propan-2-yl N-[2-(diethylamino)ethyl]carbamate (PubChem CID 116653752) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is propan-2-yl N-[2-(diethylamino)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-(diethylamino)ethyl]carbamate
PubChem CID116653752
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Namepropan-2-yl N-[2-(diethylamino)ethyl]carbamate
SMILESCCN(CC)CCNC(=O)OC(C)C
InChIInChI=1S/C10H22N2O2/c1-5-12(6-2)8-7-11-10(13)14-9(3)4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZVULXBJYIDLLTC-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
molecular hydrogen;propan-2-yl N-[3-[ethyl(propyl)amino]propyl]carbamate
CID 154661279
2,6-dimethylheptan-4-yl N-[2-[bis[2-(2,6-dimethylheptan-4-yloxycarbonylamino)ethyl]amino]ethyl]carbamate
CID 54417903
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
propan-2-yl N-(2-chloroethyl)carbamate
CID 15649892
propan-2-yl N-[3-(dimethylamino)-3-oxopropyl]carbamate
CID 116655237
N'-[2-(diethylamino)ethyl]-N-(3-methylbutyl)oxamide
CID 108522253
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
N'-butan-2-yl-N-[2-(diethylamino)ethyl]oxamide
CID 108505435
propan-2-yl N-(5-methylheptyl)carbamate
CID 129015381
(2S)-2-[2-(diethylamino)ethylcarbamoylamino]propanoic acid
CID 61184562

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-(diethylamino)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[2-(diethylamino)ethyl]carbamate (CID 116653752) is propan-2-yl N-[2-(diethylamino)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-(diethylamino)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[2-(diethylamino)ethyl]carbamate is CCN(CC)CCNC(=O)OC(C)C.
What is the InChIKey of propan-2-yl N-[2-(diethylamino)ethyl]carbamate?
The InChIKey is ZVULXBJYIDLLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-12(6-2)8-7-11-10(13)14-9(3)4/h9H,5-8H2,1-4H3,(H,11,13).
What are the key properties of propan-2-yl N-[2-(diethylamino)ethyl]carbamate?
propan-2-yl N-[2-(diethylamino)ethyl]carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-(diethylamino)ethyl]carbamate is sourced from PubChem (CID 116653752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).