N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate

C18H38N2O2 — CID 89496799

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCOC(=O)N(C(C)C)C(C)C.CCN(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2.C8H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-9(7(2)3)8(4)5/h6,8-9H,1,7H2,2-5H3;7-8H,6H2,1-5H3
InChIKeyXQCUOFRZKRIIRH-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.55
Rot. Bonds7

About N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate

N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 89496799) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
PubChem CID89496799
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCOC(=O)N(C(C)C)C(C)C.CCN(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2.C8H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-9(7(2)3)8(4)5/h6,8-9H,1,7H2,2-5H3;7-8H,6H2,1-5H3
InChIKeyXQCUOFRZKRIIRH-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl-carbamic acid but-2-enyl ester
CID 6018985
prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
Carbamic acid, dibutyl-, 2-propenyl ester
CID 225297
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 10888910
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(diethylazanide);titanium(4+)
CID 12768305
lithium [(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 12901922
[(2E,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436546
[(2Z,4E)-5-[di(propan-2-yl)carbamoyloxy]penta-2,4-dienyl] N,N-di(propan-2-yl)carbamate
CID 13436547
[(E)-1-[bis(2-methylpropyl)alumanyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 16695328
But-2-en-1-yl dipropan-2-ylcarbamate
CID 71420949
tris(propan-2-ol);prop-2-enyl N,N-di(propan-2-yl)carbamate;titanium
CID 135046719
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate (CID 89496799) is N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate is C=CCOC(=O)N(C(C)C)C(C)C.CCN(C(C)C)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is XQCUOFRZKRIIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C8H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-9(7(2)3)8(4)5/h6,8-9H,1,7H2,2-5H3;7-8H,6H2,1-5H3.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 314.51 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 89496799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).