4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine

C20H33NO2 — CID 138519057

IUPAC4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(CCC(C)C)CC2C=CCCC2OC)C=C1
InChIInChI=1S/C20H33NO2/c1-16(2)13-14-21(18-9-11-19(22-3)12-10-18)15-17-7-5-6-8-20(17)23-4/h5,7,9,11-12,16-18,20H,6,8,10,13-15H2,1-4H3
InChIKeyXQRHMKYADNSRSB-UHFFFAOYSA-N
MW319.49 g/mol
LogP4.17
Rot. Bonds8

About 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine

4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine (PubChem CID 138519057) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
PubChem CID138519057
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(CCC(C)C)CC2C=CCCC2OC)C=C1
InChIInChI=1S/C20H33NO2/c1-16(2)13-14-21(18-9-11-19(22-3)12-10-18)15-17-7-5-6-8-20(17)23-4/h5,7,9,11-12,16-18,20H,6,8,10,13-15H2,1-4H3
InChIKeyXQRHMKYADNSRSB-UHFFFAOYSA-N
XLogP4.17
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine with MolForge

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Related Compounds

4-methoxy-3-[(E)-2-methoxyprop-1-enyl]-1,2,4-trimethyl-4a,8a-dihydroquinoline
CID 126606624
N-(cyclohexylmethyl)-4-methoxy-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine
CID 138519060
2-[(1R,5E)-6,7-dimethoxy-2-(4-methylpentyl)-3,4,7,10-tetrahydro-1H-cycloocta[c]pyridin-1-yl]ethanol
CID 142439927
2,4-Dimethyl-6-prop-2-enoxy-3-(4-prop-2-enoxycyclohexa-2,4-dien-1-yl)-2,4,8,8a-tetrahydro-1,3-benzoxazine
CID 163495618

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine (CID 138519057) is 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine is COC1=CCC(N(CCC(C)C)CC2C=CCCC2OC)C=C1.
What is the InChIKey of 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
The InChIKey is XQRHMKYADNSRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-16(2)13-14-21(18-9-11-19(22-3)12-10-18)15-17-7-5-6-8-20(17)23-4/h5,7,9,11-12,16-18,20H,6,8,10,13-15H2,1-4H3.
What are the key properties of 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine?
4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine has a molecular weight of 319.49 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(6-methoxycyclohex-2-en-1-yl)methyl]-N-(3-methylbutyl)cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 138519057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).