1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine

C18H28N2 — CID 102917352

IUPAC1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(CCCC(C)C)c12
InChIInChI=1S/C18H28N2/c1-4-17(19)13-16-9-5-8-15-10-12-20(18(15)16)11-6-7-14(2)3/h5,8-10,12,14,17H,4,6-7,11,13,19H2,1-3H3
InChIKeyHJEZAUDGYLSEDS-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.36
Rot. Bonds7

About 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine

1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine (PubChem CID 102917352) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
PubChem CID102917352
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(CCCC(C)C)c12
InChIInChI=1S/C18H28N2/c1-4-17(19)13-16-9-5-8-15-10-12-20(18(15)16)11-6-7-14(2)3/h5,8-10,12,14,17H,4,6-7,11,13,19H2,1-3H3
InChIKeyHJEZAUDGYLSEDS-UHFFFAOYSA-N
XLogP4.36
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[7-(2-aminobutyl)indol-1-yl]butanenitrile
CID 102917322
[1-(4-methylpentyl)indol-7-yl]methanamine
CID 83169213
1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351
1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
CID 102917327
1-[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]propan-2-amine
CID 106457568
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
4-(7-ethylindol-1-yl)-N-propan-2-ylbutan-1-amine
CID 62563359
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
[1-(3-ethylsulfanylpropyl)indol-7-yl]methanamine
CID 113474456
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine?
The IUPAC name of 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine (CID 102917352) is 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine?
The canonical SMILES for 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine is CCC(N)Cc1cccc2ccn(CCCC(C)C)c12.
What is the InChIKey of 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine?
The InChIKey is HJEZAUDGYLSEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-17(19)13-16-9-5-8-15-10-12-20(18(15)16)11-6-7-14(2)3/h5,8-10,12,14,17H,4,6-7,11,13,19H2,1-3H3.
What are the key properties of 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine?
1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine is sourced from PubChem (CID 102917352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).