1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine

C10H17NO — CID 45091076

IUPAC1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)CC=CC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5H,6-8H2,1-3H3
InChIKeyPFMQQPXAOHQKLR-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds3

About 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine

1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine (PubChem CID 45091076) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
PubChem CID45091076
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
SMILESCOC1=C(CN(C)C)CC=CC1
InChIInChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5H,6-8H2,1-3H3
InChIKeyPFMQQPXAOHQKLR-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
3-Butyl-6-propan-2-yl-2,4-dihydro-1,3-oxazine
CID 141207116
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
5-[(1Z)-buta-1,3-dienyl]-6-methyl-3-prop-2-enyl-2,4-dihydro-1,3-oxazine
CID 152805425
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886
(7E)-7-[(Z)-but-2-enylidene]-3-methyl-4,8-dihydro-2H-1,3-benzoxazine
CID 166969375
1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 14591216
1-(4-methoxycyclohexa-1,4-dien-1-yl)-N-methylmethanamine
CID 24772962
(2Z,5E)-N-butyl-3,6-dimethoxy-N,2-dimethylhepta-2,5-dien-1-amine
CID 143043912
(3Z,5E)-N-ethyl-6-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 143074213
1-(4-methoxycyclohepta-1,4,6-trien-1-yl)-N,N-dimethylethanamine
CID 143224153

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine (CID 45091076) is 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine is COC1=C(CN(C)C)CC=CC1.
What is the InChIKey of 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is PFMQQPXAOHQKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)8-9-6-4-5-7-10(9)12-3/h4-5H,6-8H2,1-3H3.
What are the key properties of 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine?
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 45091076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).