[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate

C11H18N2O2 — CID 176662426

IUPAC[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate
SMILESCN[C@@H](COC(N)=O)CC1=CCCC=C1
InChIInChI=1S/C11H18N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h3,5-6,10,13H,2,4,7-8H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyXQCZMQBDANHUFO-SNVBAGLBSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds5

About [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate

[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate (PubChem CID 176662426) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate.

Molecular Properties

Compound Name[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate
PubChem CID176662426
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate
SMILESCN[C@@H](COC(N)=O)CC1=CCCC=C1
InChIInChI=1S/C11H18N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h3,5-6,10,13H,2,4,7-8H2,1H3,(H2,12,14)/t10-/m1/s1
InChIKeyXQCZMQBDANHUFO-SNVBAGLBSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-2-amine
CID 68404359
1-(1,2,3,6-Tetrahydropyridin-2-yl)propyl carbamate
CID 69863458
lithium (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one
CID 88415529
(2-Amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate
CID 123662966
(2-Amino-4-prop-1-enylhepta-4,6-dienyl) carbamate
CID 123925310
[(2R)-2-amino-3-cyclohexa-1,5-dien-1-ylpropyl] carbamate
CID 129163357
(4S)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
CID 141811619
(4R)-4-(cyclohexa-1,5-dien-1-ylmethyl)-1,3-oxazolidin-2-one
CID 142056302
4-[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-1,3-oxazolidin-2-one
CID 142132034
[2-Amino-3-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)propyl] carbamate
CID 143028124
(4S)-4-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1,3-oxazolidin-2-one
CID 143195542
tert-butyl N-[(1S)-2-cyclohexa-1,5-dien-1-yl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143466703

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate?
The IUPAC name of [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate (CID 176662426) is [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate.
What is the SMILES notation for [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate?
The canonical SMILES for [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate is CN[C@@H](COC(N)=O)CC1=CCCC=C1.
What is the InChIKey of [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate?
The InChIKey is XQCZMQBDANHUFO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-10(8-15-11(12)14)7-9-5-3-2-4-6-9/h3,5-6,10,13H,2,4,7-8H2,1H3,(H2,12,14)/t10-/m1/s1.
What are the key properties of [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate?
[(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate has a molecular weight of 210.28 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-cyclohexa-1,5-dien-1-yl-2-(methylamino)propyl] carbamate is sourced from PubChem (CID 176662426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).