N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine

C18H26N2O — CID 126583121

IUPACN-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine
SMILESCOCCCn1cc(CN(C)C2CC2)c2c(C)cccc21
InChIInChI=1S/C18H26N2O/c1-14-6-4-7-17-18(14)15(12-19(2)16-8-9-16)13-20(17)10-5-11-21-3/h4,6-7,13,16H,5,8-12H2,1-3H3
InChIKeyYZPMYCICCGFCBK-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.58
Rot. Bonds7

About N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine

N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine (PubChem CID 126583121) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine
PubChem CID126583121
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine
SMILESCOCCCn1cc(CN(C)C2CC2)c2c(C)cccc21
InChIInChI=1S/C18H26N2O/c1-14-6-4-7-17-18(14)15(12-19(2)16-8-9-16)13-20(17)10-5-11-21-3/h4,6-7,13,16H,5,8-12H2,1-3H3
InChIKeyYZPMYCICCGFCBK-UHFFFAOYSA-N
XLogP3.58
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine (CID 126583121) is N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine is COCCCn1cc(CN(C)C2CC2)c2c(C)cccc21.
What is the InChIKey of N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is YZPMYCICCGFCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-6-4-7-17-18(14)15(12-19(2)16-8-9-16)13-20(17)10-5-11-21-3/h4,6-7,13,16H,5,8-12H2,1-3H3.
What are the key properties of N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine?
N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxypropyl)-4-methylindol-3-yl]methyl]-N-methylcyclopropanamine is sourced from PubChem (CID 126583121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).