N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine

C19H28N2 — CID 168840392

IUPACN-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(C)CCc1c[nH]c2cc(CC=C(C)C)ccc12
InChIInChI=1S/C19H28N2/c1-5-11-21(4)12-10-17-14-20-19-13-16(7-6-15(2)3)8-9-18(17)19/h6,8-9,13-14,20H,5,7,10-12H2,1-4H3
InChIKeyPIAOTYKOEWDHGJ-UHFFFAOYSA-N
MW284.45 g/mol
LogP4.56
Rot. Bonds7

About N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine

N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine (PubChem CID 168840392) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
PubChem CID168840392
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC NameN-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine
SMILESCCCN(C)CCc1c[nH]c2cc(CC=C(C)C)ccc12
InChIInChI=1S/C19H28N2/c1-5-11-21(4)12-10-17-14-20-19-13-16(7-6-15(2)3)8-9-18(17)19/h6,8-9,13-14,20H,5,7,10-12H2,1-4H3
InChIKeyPIAOTYKOEWDHGJ-UHFFFAOYSA-N
XLogP4.56
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-methylbut-2-enyl)-3-propyl-1H-indole
CID 170014016
1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propan-2-amine
CID 170014024
3-methyl-1-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]butane-2,3-diol
CID 85086542
2-amino-3-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]propanoic acid
CID 164588463
6-chloro-3-(3-methylbut-2-enyl)-1H-indole
CID 11074898
3-[2-[ethyl(methyl)amino]ethyl]-1H-indole-6-carbonitrile
CID 156836179
N-methyl-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]propan-1-amine
CID 177026311
[3-[2-(dimethylamino)ethyl]-6-(3-methylbut-2-enyl)-1H-indol-4-yl] propanoate
CID 164872831
[2-(1H-indol-3-yl)ethyl-methylamino]methanol
CID 115229481
6-(3-methylbut-2-enyl)-3-[[methyl(propan-2-yl)amino]methyl]-1H-indol-4-ol
CID 164872790
[3-[2-(dipropylamino)ethyl]-1H-indol-6-yl] propanoate
CID 170558359
3-[[3-[2-[methyl(prop-2-enyl)amino]ethyl]-1H-indol-6-yl]oxy]-3-oxopropanoic acid
CID 169222205

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine (CID 168840392) is N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine is CCCN(C)CCc1c[nH]c2cc(CC=C(C)C)ccc12.
What is the InChIKey of N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine?
The InChIKey is PIAOTYKOEWDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-5-11-21(4)12-10-17-14-20-19-13-16(7-6-15(2)3)8-9-18(17)19/h6,8-9,13-14,20H,5,7,10-12H2,1-4H3.
What are the key properties of N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine?
N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine has a molecular weight of 284.45 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[6-(3-methylbut-2-enyl)-1H-indol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 168840392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).