N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine

C18H26N2O2 — CID 167454832

IUPACN-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NC2CCCC2)c2[nH]cc(C)c2c1
InChIInChI=1S/C18H26N2O2/c1-13-11-19-18-16(13)9-14(12-22-8-7-21-2)10-17(18)20-15-5-3-4-6-15/h9-11,15,19-20H,3-8,12H2,1-2H3
InChIKeyPYRZTHTYGDOURR-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.99
Rot. Bonds7

About N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine

N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine (PubChem CID 167454832) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine
PubChem CID167454832
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine
SMILESCOCCOCc1cc(NC2CCCC2)c2[nH]cc(C)c2c1
InChIInChI=1S/C18H26N2O2/c1-13-11-19-18-16(13)9-14(12-22-8-7-21-2)10-17(18)20-15-5-3-4-6-15/h9-11,15,19-20H,3-8,12H2,1-2H3
InChIKeyPYRZTHTYGDOURR-UHFFFAOYSA-N
XLogP3.99
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-5-(2-methoxyethoxymethyl)-2-phenyl-1H-indol-7-amine
CID 167454761
N-cyclopropyl-3-(2-methoxyethoxymethyl)aniline
CID 103439171
N-[3-(2-methoxyethoxymethyl)phenyl]azepan-4-amine
CID 103981615
5-(methoxymethyl)-N-(oxan-4-yl)-3-phenyl-1H-indol-7-amine
CID 167454887
N-[3-(2-methoxyethoxymethyl)phenyl]oxan-4-amine
CID 54863387
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
7-methoxy-3-methyl-5-(piperidin-2-ylmethyl)-1H-indole
CID 117399744
N-(1-cyclohexylethyl)-3-(2-methoxyethoxymethyl)aniline
CID 60942752
N-cyclopentyl-4-methoxy-2-methylaniline
CID 62867512
N-[[3-methoxy-5-(2-methoxyethoxymethyl)phenyl]methyl]cyclopropanamine
CID 59817672
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine?
The IUPAC name of N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine (CID 167454832) is N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine.
What is the SMILES notation for N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine?
The canonical SMILES for N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine is COCCOCc1cc(NC2CCCC2)c2[nH]cc(C)c2c1.
What is the InChIKey of N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine?
The InChIKey is PYRZTHTYGDOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-11-19-18-16(13)9-14(12-22-8-7-21-2)10-17(18)20-15-5-3-4-6-15/h9-11,15,19-20H,3-8,12H2,1-2H3.
What are the key properties of N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine?
N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine has a molecular weight of 302.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-(2-methoxyethoxymethyl)-3-methyl-1H-indol-7-amine is sourced from PubChem (CID 167454832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).