N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine

C9H15NO — CID 67926725

IUPACN-ethyl-1-methoxycyclohexa-2,4-dien-1-amine
SMILESCCNC1(OC)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-3-10-9(11-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeyYIWLNSASEKTSJN-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.45
Rot. Bonds3

About N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine

N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine (PubChem CID 67926725) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxycyclohexa-2,4-dien-1-amine
PubChem CID67926725
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC NameN-ethyl-1-methoxycyclohexa-2,4-dien-1-amine
SMILESCCNC1(OC)C=CC=CC1
InChIInChI=1S/C9H15NO/c1-3-10-9(11-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3
InChIKeyYIWLNSASEKTSJN-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine?
The IUPAC name of N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine (CID 67926725) is N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine is CCNC1(OC)C=CC=CC1.
What is the InChIKey of N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine?
The InChIKey is YIWLNSASEKTSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-10-9(11-2)7-5-4-6-8-9/h4-7,10H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine?
N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67926725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).