(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine

C9H15NO — CID 175591671

IUPAC(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N)C=CC=CC1OC
InChIInChI=1S/C9H15NO/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8H,3,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyZNLUYDWLDMZDDN-GKAPJAKFSA-N
MW153.22 g/mol
LogP1.23
Rot. Bonds2

About (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine

(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 175591671) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
PubChem CID175591671
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine
SMILESCC[C@]1(N)C=CC=CC1OC
InChIInChI=1S/C9H15NO/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8H,3,10H2,1-2H3/t8?,9-/m0/s1
InChIKeyZNLUYDWLDMZDDN-GKAPJAKFSA-N
XLogP1.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine (CID 175591671) is (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine is CC[C@]1(N)C=CC=CC1OC.
What is the InChIKey of (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is ZNLUYDWLDMZDDN-GKAPJAKFSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-9(10)7-5-4-6-8(9)11-2/h4-8H,3,10H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine?
(1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-ethyl-6-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 175591671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).