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

C19H38N2O2 — CID 89496788

IUPACN-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCN(C(C)C)C(C)C.C=CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2.C9H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-7-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3;6,8-9H,1,7H2,2-5H3
InChIKeyAQHVVHQKHJARET-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.72
Rot. Bonds8

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

N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate (PubChem CID 89496788) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound NameN-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
PubChem CID89496788
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate
SMILESC=CCN(C(C)C)C(C)C.C=CCOC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C10H19NO2.C9H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-7-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3;6,8-9H,1,7H2,2-5H3
InChIKeyAQHVVHQKHJARET-UHFFFAOYSA-N
XLogP4.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.72
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

prop-2-enyl N,N-di(propan-2-yl)carbamate
CID 11275447
[(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
[(E)-but-2-enyl] N,N-di(propan-2-yl)carbamate;tris(dimethylazanide);titanium(4+)
CID 135046778
[(Z)-1-[bis(2-methylpropyl)alumanyl]but-2-enyl] N,N-di(propan-2-yl)carbamate
CID 135050708
prop-2-enyl N,N-bis(prop-2-enyl)carbamate
CID 11745252
prop-2-enyl N,N-diethylcarbamate
CID 12602308

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate (CID 89496788) is N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate is C=CCN(C(C)C)C(C)C.C=CCOC(=O)N(C(C)C)C(C)C.
What is the InChIKey of N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
The InChIKey is AQHVVHQKHJARET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C9H19N/c1-6-7-13-10(12)11(8(2)3)9(4)5;1-6-7-10(8(2)3)9(4)5/h6,8-9H,1,7H2,2-5H3;6,8-9H,1,7H2,2-5H3.
What are the key properties of N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate?
N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate has a molecular weight of 326.53 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-prop-2-enylpropan-2-amine;prop-2-enyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 89496788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).