N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine

C16H20N2 — CID 113455950

IUPACN-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
SMILESCC#CCCn1ccc2c(CNCC)cccc21
InChIInChI=1S/C16H20N2/c1-3-5-6-11-18-12-10-15-14(13-17-4-2)8-7-9-16(15)18/h7-10,12,17H,4,6,11,13H2,1-2H3
InChIKeyYVMNMKUPRDBIDL-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.16
Rot. Bonds5

About N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine

N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine (PubChem CID 113455950) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
PubChem CID113455950
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
SMILESCC#CCCn1ccc2c(CNCC)cccc21
InChIInChI=1S/C16H20N2/c1-3-5-6-11-18-12-10-15-14(13-17-4-2)8-7-9-16(15)18/h7-10,12,17H,4,6,11,13H2,1-2H3
InChIKeyYVMNMKUPRDBIDL-UHFFFAOYSA-N
XLogP3.16
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
CID 79186431
N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
3-[4-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 79620776
2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine
CID 104811631
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-4-yl]methyl]ethanamine
CID 104801171
2-methoxy-N-[[1-(2-propoxyethyl)indol-4-yl]methyl]ethanamine
CID 106455254
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
4,6-dichloro-1-pent-3-ynylindole
CID 103428441
N-ethyl-3-(4-methylindol-1-yl)propan-1-amine
CID 62562010
N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
CID 104811726
4-ethyl-1-(2-phenylethyl)indole
CID 143158245
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955

Frequently Asked Questions

What is the IUPAC name of N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine (CID 113455950) is N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine is CC#CCCn1ccc2c(CNCC)cccc21.
What is the InChIKey of N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine?
The InChIKey is YVMNMKUPRDBIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-5-6-11-18-12-10-15-14(13-17-4-2)8-7-9-16(15)18/h7-10,12,17H,4,6,11,13H2,1-2H3.
What are the key properties of N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine?
N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine has a molecular weight of 240.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine is sourced from PubChem (CID 113455950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).