N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine

C9H15NO2 — CID 143264418

IUPACN-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCONCC1=CC=C(OC)CC1
InChIInChI=1S/C9H15NO2/c1-11-9-5-3-8(4-6-9)7-10-12-2/h3,5,10H,4,6-7H2,1-2H3
InChIKeyZHNFXGWDRVDBPL-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.39
Rot. Bonds4

About N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine

N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 143264418) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound NameN-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine
PubChem CID143264418
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCONCC1=CC=C(OC)CC1
InChIInChI=1S/C9H15NO2/c1-11-9-5-3-8(4-6-9)7-10-12-2/h3,5,10H,4,6-7H2,1-2H3
InChIKeyZHNFXGWDRVDBPL-UHFFFAOYSA-N
XLogP1.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 66581252
(4-Ethoxy-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 89418548
5-[(5-ethyl-6-methoxy-2H-pyridin-1-yl)oxy]pentan-1-amine
CID 134292171
formaldehyde;N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 143264417
(2,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 144467398
(3-Chloro-4-methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 144778067
(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 147667360

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine (CID 143264418) is N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine is CONCC1=CC=C(OC)CC1.
What is the InChIKey of N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is ZHNFXGWDRVDBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-9-5-3-8(4-6-9)7-10-12-2/h3,5,10H,4,6-7H2,1-2H3.
What are the key properties of N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine?
N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 169.22 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-(4-methoxycyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 143264418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).