N-methyl-1-(1-propylindol-4-yl)propan-2-amine

C15H22N2 — CID 115106942

IUPACN-methyl-1-(1-propylindol-4-yl)propan-2-amine
SMILESCCCn1ccc2c(CC(C)NC)cccc21
InChIInChI=1S/C15H22N2/c1-4-9-17-10-8-14-13(11-12(2)16-3)6-5-7-15(14)17/h5-8,10,12,16H,4,9,11H2,1-3H3
InChIKeyZEPYZSRRWSLMMY-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.20
Rot. Bonds5

About N-methyl-1-(1-propylindol-4-yl)propan-2-amine

N-methyl-1-(1-propylindol-4-yl)propan-2-amine (PubChem CID 115106942) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-methyl-1-(1-propylindol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-propylindol-4-yl)propan-2-amine
PubChem CID115106942
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-methyl-1-(1-propylindol-4-yl)propan-2-amine
SMILESCCCn1ccc2c(CC(C)NC)cccc21
InChIInChI=1S/C15H22N2/c1-4-9-17-10-8-14-13(11-12(2)16-3)6-5-7-15(14)17/h5-8,10,12,16H,4,9,11H2,1-3H3
InChIKeyZEPYZSRRWSLMMY-UHFFFAOYSA-N
XLogP3.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
1-[1-(methoxymethyl)indol-4-yl]butan-2-amine
CID 65364705
1-[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]propan-2-amine
CID 82870619
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
1-[2-[4-(methylaminomethyl)indol-1-yl]ethyl]pyridin-2-one
CID 82899272
N-methyl-3-[1-(2-methylpropyl)indol-4-yl]propan-1-amine
CID 115106965
N-[[1-[2-(2-methylpropoxy)ethyl]indol-4-yl]methyl]propan-2-amine
CID 106455248
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
CID 115107196
1-[4-[(propan-2-ylamino)methyl]indol-1-yl]propan-2-ol
CID 65279152
N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
CID 113455950
N-methyl-1-[1-(2-phenylsulfanylethyl)indol-4-yl]methanamine
CID 79229017

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-propylindol-4-yl)propan-2-amine?
The IUPAC name of N-methyl-1-(1-propylindol-4-yl)propan-2-amine (CID 115106942) is N-methyl-1-(1-propylindol-4-yl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(1-propylindol-4-yl)propan-2-amine?
The canonical SMILES for N-methyl-1-(1-propylindol-4-yl)propan-2-amine is CCCn1ccc2c(CC(C)NC)cccc21.
What is the InChIKey of N-methyl-1-(1-propylindol-4-yl)propan-2-amine?
The InChIKey is ZEPYZSRRWSLMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-9-17-10-8-14-13(11-12(2)16-3)6-5-7-15(14)17/h5-8,10,12,16H,4,9,11H2,1-3H3.
What are the key properties of N-methyl-1-(1-propylindol-4-yl)propan-2-amine?
N-methyl-1-(1-propylindol-4-yl)propan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-propylindol-4-yl)propan-2-amine is sourced from PubChem (CID 115106942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).