(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate

C10H16N2O2 — CID 123662966

IUPAC(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate
SMILESNC(=O)OCC(N)CC1=CCCC=C1
InChIInChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13)
InChIKeyDPMLFEXHXOQCGB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.08
Rot. Bonds4

About (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate

(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate (PubChem CID 123662966) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate.

Molecular Properties

Compound Name(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate
PubChem CID123662966
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate
SMILESNC(=O)OCC(N)CC1=CCCC=C1
InChIInChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13)
InChIKeyDPMLFEXHXOQCGB-UHFFFAOYSA-N
XLogP1.08
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate?
The IUPAC name of (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate (CID 123662966) is (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate.
What is the SMILES notation for (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate?
The canonical SMILES for (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate is NC(=O)OCC(N)CC1=CCCC=C1.
What is the InChIKey of (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate?
The InChIKey is DPMLFEXHXOQCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c11-9(7-14-10(12)13)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7,11H2,(H2,12,13).
What are the key properties of (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate?
(2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate has a molecular weight of 196.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-cyclohexa-1,5-dien-1-ylpropyl) carbamate is sourced from PubChem (CID 123662966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).