2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

C10H17NO — CID 163914886

IUPAC2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1=CC(CCN(C)C)=CC1
InChIInChI=1S/C10H17NO/c1-11(2)7-6-9-4-5-10(8-9)12-3/h4,8H,5-7H2,1-3H3
InChIKeyQVJHKXCSIZIVJI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds4

About 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine

2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (PubChem CID 163914886) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
PubChem CID163914886
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
SMILESCOC1=CC(CCN(C)C)=CC1
InChIInChI=1S/C10H17NO/c1-11(2)7-6-9-4-5-10(8-9)12-3/h4,8H,5-7H2,1-3H3
InChIKeyQVJHKXCSIZIVJI-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine with MolForge

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Related Compounds

(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine
CID 166112226
N-ethyl-2-[(4E)-2-methoxy-4,6-dimethylcycloocta-1,4,7-trien-1-yl]-N-methylethanamine
CID 174031613
1-(2-methoxy-6-methylidenecyclohexa-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 14591216
1-(2-methoxycyclohexa-1,4-dien-1-yl)-N,N-dimethylmethanamine
CID 45091076
1-(2-methoxycyclopenta-2,4-dien-1-yl)-N,N-dimethylmethanamine
CID 129813087
(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 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The IUPAC name of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine (CID 163914886) is 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is COC1=CC(CCN(C)C)=CC1.
What is the InChIKey of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
The InChIKey is QVJHKXCSIZIVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)7-6-9-4-5-10(8-9)12-3/h4,8H,5-7H2,1-3H3.
What are the key properties of 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine?
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine has a molecular weight of 167.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine is sourced from PubChem (CID 163914886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).