N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine

C17H24N2 — CID 79186198

IUPACN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine
SMILESC=C(C)Cn1c(C)c(C)c2cc(CNCC)ccc21
InChIInChI=1S/C17H24N2/c1-6-18-10-15-7-8-17-16(9-15)13(4)14(5)19(17)11-12(2)3/h7-9,18H,2,6,10-11H2,1,3-5H3
InChIKeyCLQBUZMLIRRSIW-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.94
Rot. Bonds5

About N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine

N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine (PubChem CID 79186198) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine
PubChem CID79186198
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine
SMILESC=C(C)Cn1c(C)c(C)c2cc(CNCC)ccc21
InChIInChI=1S/C17H24N2/c1-6-18-10-15-7-8-17-16(9-15)13(4)14(5)19(17)11-12(2)3/h7-9,18H,2,6,10-11H2,1,3-5H3
InChIKeyCLQBUZMLIRRSIW-UHFFFAOYSA-N
XLogP3.94
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]-2-methoxyethanamine
CID 79186311
N-[[2,3-dimethyl-1-(3-methylbut-3-enyl)indol-5-yl]methyl]propan-1-amine
CID 114476978
1-[1-(3-ethoxypropyl)-2,3-dimethylindol-5-yl]-N-methylmethanamine
CID 65177840
1-[2,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]indol-5-yl]-N-methylmethanamine
CID 115943540
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[(9-ethylcarbazol-3-yl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332553
4-[(2,3,5-trimethylindol-1-yl)methyl]phenol
CID 143599776
2-methyl-N-[[1-(2-methylprop-2-enyl)indol-5-yl]methyl]propan-1-amine
CID 79186203
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[1-(2-methylprop-2-enyl)indol-4-yl]methyl]ethanamine
CID 79186431
1-ethyl-2,3-dimethylindole-5-carboxylic acid
CID 608826
N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 81471854

Frequently Asked Questions

What is the IUPAC name of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine (CID 79186198) is N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine is C=C(C)Cn1c(C)c(C)c2cc(CNCC)ccc21.
What is the InChIKey of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine?
The InChIKey is CLQBUZMLIRRSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-6-18-10-15-7-8-17-16(9-15)13(4)14(5)19(17)11-12(2)3/h7-9,18H,2,6,10-11H2,1,3-5H3.
What are the key properties of N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine?
N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine has a molecular weight of 256.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,3-dimethyl-1-(2-methylprop-2-enyl)indol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79186198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).