4-(1-methylindol-3-yl)-N-propylbutan-2-amine

C16H24N2 — CID 107236535

IUPAC4-(1-methylindol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-11-17-13(2)9-10-14-12-18(3)16-8-6-5-7-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyFVQICDZFBWPAHH-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.50
Rot. Bonds6

About 4-(1-methylindol-3-yl)-N-propylbutan-2-amine

4-(1-methylindol-3-yl)-N-propylbutan-2-amine (PubChem CID 107236535) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(1-methylindol-3-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-(1-methylindol-3-yl)-N-propylbutan-2-amine
PubChem CID107236535
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name4-(1-methylindol-3-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)CCc1cn(C)c2ccccc12
InChIInChI=1S/C16H24N2/c1-4-11-17-13(2)9-10-14-12-18(3)16-8-6-5-7-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3
InChIKeyFVQICDZFBWPAHH-UHFFFAOYSA-N
XLogP3.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-carbazol-9-yl-N-propylbutan-2-amine
CID 63468623
3-methyl-5-(1-methylindol-3-yl)pentan-2-one
CID 58492260
3-decyl-1-methylindole
CID 10802084
2-[2-(1-methylindol-3-yl)ethylamino]ethanethiol
CID 115224231
2-[2-(1-methylindol-3-yl)ethylamino]acetonitrile
CID 115131227
3-(2-bromoethyl)-1-methylindole
CID 13153306
3-[2-(1-methylindol-3-yl)ethylamino]propan-1-ol
CID 115217042
N-[1-(1-methylindol-3-yl)propan-2-yl]formamide
CID 166490360
3-[2-(1-methylindol-3-yl)ethylamino]propanenitrile
CID 115231099
4-[2-(1-methylindol-3-yl)ethylamino]butan-1-ol
CID 115217783
4-(1,3-dimethylpyrazol-4-yl)-N-propylbutan-2-amine
CID 83094527
2-[(1-methylindol-3-yl)methylamino]pentanoic acid
CID 65054985

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylindol-3-yl)-N-propylbutan-2-amine?
The IUPAC name of 4-(1-methylindol-3-yl)-N-propylbutan-2-amine (CID 107236535) is 4-(1-methylindol-3-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 4-(1-methylindol-3-yl)-N-propylbutan-2-amine?
The canonical SMILES for 4-(1-methylindol-3-yl)-N-propylbutan-2-amine is CCCNC(C)CCc1cn(C)c2ccccc12.
What is the InChIKey of 4-(1-methylindol-3-yl)-N-propylbutan-2-amine?
The InChIKey is FVQICDZFBWPAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-11-17-13(2)9-10-14-12-18(3)16-8-6-5-7-15(14)16/h5-8,12-13,17H,4,9-11H2,1-3H3.
What are the key properties of 4-(1-methylindol-3-yl)-N-propylbutan-2-amine?
4-(1-methylindol-3-yl)-N-propylbutan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-3-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 107236535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).