N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine

C10H17NO — CID 143262692

IUPACN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(C)C1=C(OC)CCC=C1
InChIInChI=1S/C10H17NO/c1-4-11(2)9-7-5-6-8-10(9)12-3/h5,7H,4,6,8H2,1-3H3
InChIKeyCQCFHSNZUDPQRZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.15
Rot. Bonds3

About N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine

N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine (PubChem CID 143262692) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
PubChem CID143262692
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine
SMILESCCN(C)C1=C(OC)CCC=C1
InChIInChI=1S/C10H17NO/c1-4-11(2)9-7-5-6-8-10(9)12-3/h5,7H,4,6,8H2,1-3H3
InChIKeyCQCFHSNZUDPQRZ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-Methoxy-1-methylcyclohexa-2,4-dien-1-yl)-2,5-dihydropyrrole
CID 70452829
(2E,4Z,6E)-8-ethyl-2-methyl-11,12-dihydro-1,8-benzoxazecine
CID 70904789
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
5-methoxy-N,N-dimethylcyclohexa-2,4-dien-1-amine
CID 141911562
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine;hydroiodide
CID 143262691
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
3-methyl-6,7-dihydro-2H-1,3-benzoxazole
CID 143500995
Methane;4-methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
CID 145321808
4-Methyl-2,3,7,8-tetrahydro-1,4-benzoxazine
CID 145321809
(6E)-4-methyl-3-prop-2-enyl-6-prop-2-enylidene-1,3-oxazinane
CID 164131183
2-but-3-en-2-yloxy-N-methyl-N-[(Z)-pent-3-en-2-yl]cyclohexa-1,5-dien-1-amine
CID 167158733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine (CID 143262692) is N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine is CCN(C)C1=C(OC)CCC=C1.
What is the InChIKey of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
The InChIKey is CQCFHSNZUDPQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-11(2)9-7-5-6-8-10(9)12-3/h5,7H,4,6,8H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine?
N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-N-methylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 143262692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).