4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine

C9H15NO — CID 123735018

IUPAC4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(N(C)C)CC1
InChIInChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,6H,5,7H2,1-3H3
InChIKeyNSVLGKZRCASPBU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds2

About 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine

4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 123735018) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID123735018
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1=CC=C(N(C)C)CC1
InChIInChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,6H,5,7H2,1-3H3
InChIKeyNSVLGKZRCASPBU-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68056392
5-Methoxy-1-methyl-2,3,6,7-tetrahydroindole
CID 68363082
4-ethoxy-N-methylcyclohexa-1,3-dien-1-amine
CID 68394016
4-ethoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 68394026
N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162354
ethane;N'-(4-methoxycyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 145162365
N,N-dimethylmethanamine;4-methoxycyclohexa-1,3-dien-1-amine
CID 169232735
4-methoxy-N,N-dimethylcyclohexa-1,4-dien-1-amine
CID 45090908

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 123735018) is 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine is COC1=CC=C(N(C)C)CC1.
What is the InChIKey of 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is NSVLGKZRCASPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)8-4-6-9(11-3)7-5-8/h4,6H,5,7H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123735018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).