N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine

C17H22N2 — CID 104811726

IUPACN-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
SMILESCC#CCCn1ccc2cc(CNCCC)ccc21
InChIInChI=1S/C17H22N2/c1-3-5-6-11-19-12-9-16-13-15(7-8-17(16)19)14-18-10-4-2/h7-9,12-13,18H,4,6,10-11,14H2,1-2H3
InChIKeyMAMSRJNRRMBAEX-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.55
Rot. Bonds6

About N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine

N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine (PubChem CID 104811726) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
PubChem CID104811726
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine
SMILESCC#CCCn1ccc2cc(CNCCC)ccc21
InChIInChI=1S/C17H22N2/c1-3-5-6-11-19-12-9-16-13-15(7-8-17(16)19)14-18-10-4-2/h7-9,12-13,18H,4,6,10-11,14H2,1-2H3
InChIKeyMAMSRJNRRMBAEX-UHFFFAOYSA-N
XLogP3.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-pent-3-ynylindol-6-yl)methyl]ethanamine
CID 104811742
N,N-dimethyl-3-[5-(propylaminomethyl)indol-1-yl]propanamide
CID 102915998
5-bromo-1-pent-3-ynylindole
CID 116619720
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
N-ethyl-2-[5-(propylaminomethyl)indol-1-yl]acetamide
CID 102915996
3-[5-(ethylaminomethyl)indol-1-yl]propan-1-ol
CID 102915831
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-5-yl]methyl]propan-1-amine
CID 102916032
2-methoxy-N-[[1-(4-methoxybutyl)indol-5-yl]methyl]ethanamine
CID 104649955
N-[[1-(2-ethylsulfanylethyl)indol-5-yl]methyl]ethanamine
CID 113474442
2-[5-(ethylaminomethyl)indol-1-yl]acetonitrile
CID 102915930
N-methyl-2-(1-propylindol-5-yl)ethanamine
CID 115106808
N-[[1-(3-methoxy-3-methylbutyl)indol-5-yl]methyl]ethanamine
CID 103035023

Frequently Asked Questions

What is the IUPAC name of N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine (CID 104811726) is N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine is CC#CCCn1ccc2cc(CNCCC)ccc21.
What is the InChIKey of N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine?
The InChIKey is MAMSRJNRRMBAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-3-5-6-11-19-12-9-16-13-15(7-8-17(16)19)14-18-10-4-2/h7-9,12-13,18H,4,6,10-11,14H2,1-2H3.
What are the key properties of N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine?
N-[(1-pent-3-ynylindol-5-yl)methyl]propan-1-amine has a molecular weight of 254.38 g/mol, XLogP of 3.55, 6 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-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 104811726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).