2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine

C18H24N2 — CID 104811631

IUPAC2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine
SMILESCC#CCCn1cc(CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H24N2/c1-5-6-9-12-20-14-15(13-19-18(2,3)4)16-10-7-8-11-17(16)20/h7-8,10-11,14,19H,9,12-13H2,1-4H3
InChIKeyLUKKCWMOGLTCMY-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.94
Rot. Bonds4

About 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine

2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine (PubChem CID 104811631) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine
PubChem CID104811631
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine
SMILESCC#CCCn1cc(CNC(C)(C)C)c2ccccc21
InChIInChI=1S/C18H24N2/c1-5-6-9-12-20-14-15(13-19-18(2,3)4)16-10-7-8-11-17(16)20/h7-8,10-11,14,19H,9,12-13H2,1-4H3
InChIKeyLUKKCWMOGLTCMY-UHFFFAOYSA-N
XLogP3.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.94
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

2-methyl-2-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074110
N-[(1-pent-3-ynylindol-4-yl)methyl]ethanamine
CID 113455950
2-methyl-N-[2-(3-methylindol-1-yl)ethyl]propan-2-amine
CID 62564838
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
2,2-dimethyl-4-[3-(propylaminomethyl)indol-1-yl]butanenitrile
CID 66410175
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
N-[(3-chloro-2-pent-3-ynoxyphenyl)methyl]-2-methylpropan-2-amine
CID 104805501
3-ethyl-N-[(1-methylindol-3-yl)methyl]pentan-3-amine
CID 107235802
4-[3-(methylaminomethyl)indol-1-yl]butan-2-ol
CID 113399056
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine (CID 104811631) is 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine is CC#CCCn1cc(CNC(C)(C)C)c2ccccc21.
What is the InChIKey of 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine?
The InChIKey is LUKKCWMOGLTCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-5-6-9-12-20-14-15(13-19-18(2,3)4)16-10-7-8-11-17(16)20/h7-8,10-11,14,19H,9,12-13H2,1-4H3.
What are the key properties of 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine?
2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pent-3-ynylindol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 104811631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).