1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine

C16H24N2 — CID 102917538

IUPAC1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
SMILESCC(C)CCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C16H24N2/c1-12(2)6-8-18-9-7-15-11-14(10-13(3)17)4-5-16(15)18/h4-5,7,9,11-13H,6,8,10,17H2,1-3H3
InChIKeyIUWSNKASFPNQIN-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.58
Rot. Bonds5

About 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine

1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine (PubChem CID 102917538) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
PubChem CID102917538
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
SMILESCC(C)CCn1ccc2cc(CC(C)N)ccc21
InChIInChI=1S/C16H24N2/c1-12(2)6-8-18-9-7-15-11-14(10-13(3)17)4-5-16(15)18/h4-5,7,9,11-13H,6,8,10,17H2,1-3H3
InChIKeyIUWSNKASFPNQIN-UHFFFAOYSA-N
XLogP3.58
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-pentylindol-5-yl)propan-2-amine
CID 102917546
1-[1-(2-ethylsulfonylethyl)indol-5-yl]propan-2-amine
CID 102917550
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-[(4-bromothiophen-2-yl)methyl]indol-5-yl]propan-2-amine
CID 102917612
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-5-yl]propan-2-amine
CID 102917572
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
5-ethoxy-1-(3-methylbutyl)indole
CID 110830943
1-(1,2-dimethylindol-5-yl)propan-2-amine
CID 117204599
3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propanamide
CID 102916282
1-(1-cyclohexylindol-5-yl)propan-2-amine
CID 117118608
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
1-[1-[2-(1-methylimidazol-2-yl)ethyl]indol-6-yl]propan-2-amine
CID 102917901

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine?
The IUPAC name of 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine (CID 102917538) is 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine?
The canonical SMILES for 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine is CC(C)CCn1ccc2cc(CC(C)N)ccc21.
What is the InChIKey of 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine?
The InChIKey is IUWSNKASFPNQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-12(2)6-8-18-9-7-15-11-14(10-13(3)17)4-5-16(15)18/h4-5,7,9,11-13H,6,8,10,17H2,1-3H3.
What are the key properties of 1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine?
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.58, 5 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-5-yl]propan-2-amine is sourced from PubChem (CID 102917538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).