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

C9H15NO — CID 134935258

IUPAC2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1=C(N(C)C)CCC=C1
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h5,7H,4,6H2,1-3H3
InChIKeyPBSFWCVOPDMDHU-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.76
Rot. Bonds2

About 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine

2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 134935258) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID134935258
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCOC1=C(N(C)C)CCC=C1
InChIInChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h5,7H,4,6H2,1-3H3
InChIKeyPBSFWCVOPDMDHU-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

3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole
CID 58715559
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
6-ethylidene-3-methoxy-N,N-dimethyl-5-methylidenecyclohexa-1,3-dien-1-amine
CID 123475527
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 123784215
(Z)-N-[(2Z)-3-methoxypenta-2,4-dien-2-yl]-N-methylhex-3-en-1-amine
CID 138465845
(3Z,5E)-5-methoxy-N,N-dimethylocta-1,3,5-trien-2-amine
CID 138633519
(4E)-3-methyl-2,5-dimethylidene-4-prop-2-enylidene-1,3-benzoxazole
CID 141801482
3-methoxy-N,N,4-trimethylcyclohepta-1,3,5-trien-1-amine
CID 141975984
ethane;(5Z,6E)-5-ethylidene-3-methoxy-N,N-dimethyl-6-prop-2-enylidenecyclohexa-1,3-dien-1-amine
CID 145582734
1-(4-methoxycyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 163962765
(4-Methoxycyclohexa-2,4-dien-1-yl)methyl-trimethylazanium
CID 167083277
N,N-diethyl-4-methoxycyclohexa-2,4-dien-1-amine
CID 12090990

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 134935258) is 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine is COC1=C(N(C)C)CCC=C1.
What is the InChIKey of 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is PBSFWCVOPDMDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10(2)8-6-4-5-7-9(8)11-3/h5,7H,4,6H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine?
2-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 2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134935258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).