N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine

C16H20N2 — CID 104811742

IUPACN-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
SMILESCC#CCCn1ccc2ccc(CNCC)cc21
InChIInChI=1S/C16H20N2/c1-3-5-6-10-18-11-9-15-8-7-14(12-16(15)18)13-17-4-2/h7-9,11-12,17H,4,6,10,13H2,1-2H3
InChIKeyVRFQLAUTLIUSOC-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.16
Rot. Bonds5

About N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine

N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine (PubChem CID 104811742) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
PubChem CID104811742
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
SMILESCC#CCCn1ccc2ccc(CNCC)cc21
InChIInChI=1S/C16H20N2/c1-3-5-6-10-18-11-9-15-8-7-14(12-16(15)18)13-17-4-2/h7-9,11-12,17H,4,6,10,13H2,1-2H3
InChIKeyVRFQLAUTLIUSOC-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'}

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Related Compounds

N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
CID 104811726
3-[6-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 102916680
N-[[1-(2-imidazol-1-ylethyl)indol-6-yl]methyl]ethanamine
CID 102916703
1-pent-3-ynylindole-6-carboxylic acid
CID 104808364
N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
CID 113455950
N-tert-butyl-2-[6-(ethylaminomethyl)indol-1-yl]acetamide
CID 102916733
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-[[1-[(5-methyl-1,2-oxazol-3-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916721
2-[6-(methylaminomethyl)indol-1-yl]ethanol
CID 102916522
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
N-[[1-[3-(oxolan-2-yl)propyl]indol-6-yl]methyl]ethanamine
CID 65165636
N-[[1-[(3-ethylimidazol-4-yl)methyl]indol-6-yl]methyl]ethanamine
CID 102916726

Frequently Asked Questions

What is the IUPAC name of N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine?
The IUPAC name of N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine (CID 104811742) is N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine is CC#CCCn1ccc2ccc(CNCC)cc21.
What is the InChIKey of N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine?
The InChIKey is VRFQLAUTLIUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-3-5-6-10-18-11-9-15-8-7-14(12-16(15)18)13-17-4-2/h7-9,11-12,17H,4,6,10,13H2,1-2H3.
What are the key properties of N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine?
N-[(1-pent-3-ynylindol-6-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-6-yl)methyl]ethanamine is sourced from PubChem (CID 104811742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).