2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine

C18H26N2 — CID 66038082

IUPAC2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
SMILESC=C(CC)Cn1ccc2cccc(CNCC(C)C)c21
InChIInChI=1S/C18H26N2/c1-5-15(4)13-20-10-9-16-7-6-8-17(18(16)20)12-19-11-14(2)3/h6-10,14,19H,4-5,11-13H2,1-3H3
InChIKeyHSYNCRSCNWLKKF-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.35
Rot. Bonds7

About 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine

2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine (PubChem CID 66038082) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
PubChem CID66038082
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine
SMILESC=C(CC)Cn1ccc2cccc(CNCC(C)C)c21
InChIInChI=1S/C18H26N2/c1-5-15(4)13-20-10-9-16-7-6-8-17(18(16)20)12-19-11-14(2)3/h6-10,14,19H,4-5,11-13H2,1-3H3
InChIKeyHSYNCRSCNWLKKF-UHFFFAOYSA-N
XLogP4.35
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine (CID 66038082) is 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine is C=C(CC)Cn1ccc2cccc(CNCC(C)C)c21.
What is the InChIKey of 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine?
The InChIKey is HSYNCRSCNWLKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-5-15(4)13-20-10-9-16-7-6-8-17(18(16)20)12-19-11-14(2)3/h6-10,14,19H,4-5,11-13H2,1-3H3.
What are the key properties of 2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(2-methylidenebutyl)indol-7-yl]methyl]propan-1-amine has a molecular weight of 270.42 g/mol, XLogP of 4.35, 7 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-methylidenebutyl)indol-7-yl]methyl]propan-1-amine is sourced from PubChem (CID 66038082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).