(1R)-1-ethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 44624339

IUPAC(1R)-1-ethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N)C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h3-6H,2,7,9H2,1H3/t8-/m0/s1
InChIKeyROHUWFHOCAUEMV-QMMMGPOBSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds1

About (1R)-1-ethylcyclohexa-2,4-dien-1-amine

(1R)-1-ethylcyclohexa-2,4-dien-1-amine (PubChem CID 44624339) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (1R)-1-ethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-1-ethylcyclohexa-2,4-dien-1-amine
PubChem CID44624339
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(1R)-1-ethylcyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N)C=CC=CC1
InChIInChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h3-6H,2,7,9H2,1H3/t8-/m0/s1
InChIKeyROHUWFHOCAUEMV-QMMMGPOBSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-ethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-1-ethylcyclohexa-2,4-dien-1-amine (CID 44624339) is (1R)-1-ethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-1-ethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-1-ethylcyclohexa-2,4-dien-1-amine is CC[C@]1(N)C=CC=CC1.
What is the InChIKey of (1R)-1-ethylcyclohexa-2,4-dien-1-amine?
The InChIKey is ROHUWFHOCAUEMV-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13N/c1-2-8(9)6-4-3-5-7-8/h3-6H,2,7,9H2,1H3/t8-/m0/s1.
What are the key properties of (1R)-1-ethylcyclohexa-2,4-dien-1-amine?
(1R)-1-ethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-ethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 44624339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).