N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine

C18H26N2O — CID 84612114

IUPACN-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine
SMILESCOCCNC1CCCC(c2cn(C)c3ccccc23)C1
InChIInChI=1S/C18H26N2O/c1-20-13-17(16-8-3-4-9-18(16)20)14-6-5-7-15(12-14)19-10-11-21-2/h3-4,8-9,13-15,19H,5-7,10-12H2,1-2H3
InChIKeyDKSZWMOVBPSPBJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.44
Rot. Bonds5

About N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine

N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine (PubChem CID 84612114) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine
PubChem CID84612114
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine
SMILESCOCCNC1CCCC(c2cn(C)c3ccccc23)C1
InChIInChI=1S/C18H26N2O/c1-20-13-17(16-8-3-4-9-18(16)20)14-6-5-7-15(12-14)19-10-11-21-2/h3-4,8-9,13-15,19H,5-7,10-12H2,1-2H3
InChIKeyDKSZWMOVBPSPBJ-UHFFFAOYSA-N
XLogP3.44
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
N-(2-methoxyethyl)-3-(2-methoxyphenyl)cyclobutan-1-amine
CID 43632651
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
3-[(2R)-1-[(1R)-2-methoxy-1-phenylethyl]piperidin-2-yl]-1-methylindole
CID 10689091
N-methyl-3-naphthalen-1-ylcyclohexan-1-amine
CID 59830952
N-cyclopropyl-4-(1-methylindol-3-yl)piperidine-1-carboxamide
CID 113087241
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N-(3-aminopropyl)-4-(1-methylindol-3-yl)cyclohexane-1-carboxamide
CID 84613024
3-(2-fluoro-4-methoxyphenyl)-N-propylcyclohexan-1-amine
CID 103396741
N-[3-(2-methoxyethoxy)propyl]-3-(2-methylphenyl)cyclobutan-1-amine
CID 43634729
4-[4-(1-methylindol-3-yl)piperidin-1-yl]butan-1-amine
CID 58610231

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine (CID 84612114) is N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine is COCCNC1CCCC(c2cn(C)c3ccccc23)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine?
The InChIKey is DKSZWMOVBPSPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-20-13-17(16-8-3-4-9-18(16)20)14-6-5-7-15(12-14)19-10-11-21-2/h3-4,8-9,13-15,19H,5-7,10-12H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine?
N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(1-methylindol-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 84612114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).