1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine

C17H26N2 — CID 102917961

IUPAC1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CCC(C)C)c2c1
InChIInChI=1S/C17H26N2/c1-4-16(18)11-14-5-6-15-8-10-19(17(15)12-14)9-7-13(2)3/h5-6,8,10,12-13,16H,4,7,9,11,18H2,1-3H3
InChIKeyYDHFOVKBNYUBLU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.97
Rot. Bonds6

About 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine

1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine (PubChem CID 102917961) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
PubChem CID102917961
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CCC(C)C)c2c1
InChIInChI=1S/C17H26N2/c1-4-16(18)11-14-5-6-15-8-10-19(17(15)12-14)9-7-13(2)3/h5-6,8,10,12-13,16H,4,7,9,11,18H2,1-3H3
InChIKeyYDHFOVKBNYUBLU-UHFFFAOYSA-N
XLogP3.97
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
6-bromo-1-(3-methylbutyl)indole
CID 116621828
2-methyl-N-[[1-(4-methylpentyl)indol-6-yl]methyl]propan-1-amine
CID 83149656
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine (CID 102917961) is 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine is CCC(N)Cc1ccc2ccn(CCC(C)C)c2c1.
What is the InChIKey of 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine?
The InChIKey is YDHFOVKBNYUBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-16(18)11-14-5-6-15-8-10-19(17(15)12-14)9-7-13(2)3/h5-6,8,10,12-13,16H,4,7,9,11,18H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine?
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine is sourced from PubChem (CID 102917961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).