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

C17H26N2 — CID 102917956

IUPAC1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
SMILESCCC(C)Cn1ccc2ccc(CC(N)CC)cc21
InChIInChI=1S/C17H26N2/c1-4-13(3)12-19-9-8-15-7-6-14(11-17(15)19)10-16(18)5-2/h6-9,11,13,16H,4-5,10,12,18H2,1-3H3
InChIKeyYNTYQCVPPKXRQR-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.97
Rot. Bonds6

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

1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine (PubChem CID 102917956) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
PubChem CID102917956
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
SMILESCCC(C)Cn1ccc2ccc(CC(N)CC)cc21
InChIInChI=1S/C17H26N2/c1-4-13(3)12-19-9-8-15-7-6-14(11-17(15)19)10-16(18)5-2/h6-9,11,13,16H,4-5,10,12,18H2,1-3H3
InChIKeyYNTYQCVPPKXRQR-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-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(pyrimidin-2-ylmethyl)indol-6-yl]butan-2-amine
CID 102918008
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
1-(1-ethylindol-6-yl)propan-2-ol
CID 115106620
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
1-[1-(2-ethylbutyl)indol-6-yl]-N-methylmethanamine
CID 82924593
1-[1-(cyclobutylmethyl)indol-6-yl]propan-2-amine
CID 115106688
5-methoxy-1-(2-methylbutyl)indole
CID 116619323

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine (CID 102917956) is 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine is CCC(C)Cn1ccc2ccc(CC(N)CC)cc21.
What is the InChIKey of 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine?
The InChIKey is YNTYQCVPPKXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-13(3)12-19-9-8-15-7-6-14(11-17(15)19)10-16(18)5-2/h6-9,11,13,16H,4-5,10,12,18H2,1-3H3.
What are the key properties of 1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine?
1-[1-(2-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-(2-methylbutyl)indol-6-yl]butan-2-amine is sourced from PubChem (CID 102917956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).