N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine

C11H19NO — CID 123449523

IUPACN-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCNC(C)C1=CCC(OC)C=C1
InChIInChI=1S/C11H19NO/c1-4-12-9(2)10-5-7-11(13-3)8-6-10/h5-7,9,11-12H,4,8H2,1-3H3
InChIKeyRTXZZUBPDMEZRB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.89
Rot. Bonds4

About N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine

N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine (PubChem CID 123449523) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
PubChem CID123449523
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine
SMILESCCNC(C)C1=CCC(OC)C=C1
InChIInChI=1S/C11H19NO/c1-4-12-9(2)10-5-7-11(13-3)8-6-10/h5-7,9,11-12H,4,8H2,1-3H3
InChIKeyRTXZZUBPDMEZRB-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-amino-3-fluoro-1-methoxypropyl)-N-(2-fluorobutyl)cyclohepta-2,4,6-trien-1-amine
CID 129313584
2,2-Dimethoxy-4-methylphenylisopropylamine
CID 129689040
N-ethyl-1-methoxycyclohexa-2,4-dien-1-amine
CID 67926725
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
4-methoxy-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 70218656
(6Z,12Z)-10a,11-dihydro-4aH-benzo[c][1,5]benzoxazocine
CID 70499730
(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(1R)-4-[(Z)-1-ethenoxyprop-1-enyl]cyclohexa-2,4-dien-1-amine
CID 89153922
(Z,2E)-5-[(1R)-cyclohexa-2,4-dien-1-yl]oxy-2-ethylidene-N-methylpent-3-en-1-amine
CID 89519127
4-(Methoxymethyl)cyclohexa-2,4-dien-1-amine
CID 89594166
N-[(7,7-dimethylchromen-3-yl)methyl]prop-2-en-1-amine
CID 89651380

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine (CID 123449523) is N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine is CCNC(C)C1=CCC(OC)C=C1.
What is the InChIKey of N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine?
The InChIKey is RTXZZUBPDMEZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-12-9(2)10-5-7-11(13-3)8-6-10/h5-7,9,11-12H,4,8H2,1-3H3.
What are the key properties of N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine?
N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methoxycyclohexa-1,5-dien-1-yl)ethanamine is sourced from PubChem (CID 123449523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).