2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine

C17H24N2 — CID 79186203

IUPAC2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
SMILESC=C(C)Cn1ccc2cc(CNCC(C)C)ccc21
InChIInChI=1S/C17H24N2/c1-13(2)10-18-11-15-5-6-17-16(9-15)7-8-19(17)12-14(3)4/h5-9,13,18H,3,10-12H2,1-2,4H3
InChIKeyLCJROOPZBFXSGU-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.96
Rot. Bonds6

About 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine (PubChem CID 79186203) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
PubChem CID79186203
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
SMILESC=C(C)Cn1ccc2cc(CNCC(C)C)ccc21
InChIInChI=1S/C17H24N2/c1-13(2)10-18-11-15-5-6-17-16(9-15)7-8-19(17)12-14(3)4/h5-9,13,18H,3,10-12H2,1-2,4H3
InChIKeyLCJROOPZBFXSGU-UHFFFAOYSA-N
XLogP3.96
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 102916282
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-7-yl]methyl]propan-1-amine
CID 79186089
1-[6-[(2-methylpropylamino)methyl]indol-1-yl]propan-2-ol
CID 102917013
2-methoxy-N-[[1-(2-methylprop-2-enyl)indol-6-yl]methyl]ethanamine
CID 79185867
N-ethyl-2-[5-(ethylaminomethyl)indol-1-yl]acetamide
CID 102915889
methyl 2-[5-(ethylaminomethyl)indol-1-yl]acetate
CID 102915843
N-[[1-(2-ethylbutyl)indol-5-yl]methyl]ethanamine
CID 82925492
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
2-[5-(ethylaminomethyl)indol-1-yl]ethanol
CID 102915827
2-methyl-N-[[1-(2-methylidenebutyl)indol-5-yl]methyl]propan-2-amine
CID 66038321
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine (CID 79186203) is 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine is C=C(C)Cn1ccc2cc(CNCC(C)C)ccc21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine?
The InChIKey is LCJROOPZBFXSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-13(2)10-18-11-15-5-6-17-16(9-15)7-8-19(17)12-14(3)4/h5-9,13,18H,3,10-12H2,1-2,4H3.
What are the key properties of 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine has a molecular weight of 256.39 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 79186203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).