1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

C17H25NO3 — CID 62079581

IUPAC1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(C1=CCCCC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-18-16(12-8-6-5-7-9-12)13-10-14(19-2)17(21-4)15(11-13)20-3/h8,10-11,16,18H,5-7,9H2,1-4H3
InChIKeyKMTCJNBRNLPPRJ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.47
Rot. Bonds6

About 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine

1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (PubChem CID 62079581) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
PubChem CID62079581
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
SMILESCNC(C1=CCCCC1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H25NO3/c1-18-16(12-8-6-5-7-9-12)13-10-14(19-2)17(21-4)15(11-13)20-3/h8,10-11,16,18H,5-7,9H2,1-4H3
InChIKeyKMTCJNBRNLPPRJ-UHFFFAOYSA-N
XLogP3.47
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
1-(cyclohepten-1-yl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 106657148
1-(4-chloro-2-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 62077826
1-(4-bromo-2-methoxyphenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 115368980
1-[(1E)-cycloocten-1-yl]-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 106656528
1-[(1E)-cycloocten-1-yl]-N-methyl-1-(4-methylphenyl)methanamine
CID 106652492
1-(cyclohepten-1-yl)-N-methyl-1-pyridin-4-ylmethanamine
CID 82237298
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
1-(2-bromo-5-methoxyphenyl)-1-(cyclohexen-1-yl)-N-methylmethanamine
CID 106657320
1-(cyclohexen-1-yl)-1-[4-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 62080331
1-(cyclohexen-1-yl)-N-methyl-1-(2-methyl-4-pyridinyl)methanamine
CID 106756069
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The IUPAC name of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine (CID 62079581) is 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The canonical SMILES for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is CNC(C1=CCCCC1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
The InChIKey is KMTCJNBRNLPPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18-16(12-8-6-5-7-9-12)13-10-14(19-2)17(21-4)15(11-13)20-3/h8,10-11,16,18H,5-7,9H2,1-4H3.
What are the key properties of 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine?
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine is sourced from PubChem (CID 62079581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).