1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole

C20H29N — CID 170125427

IUPAC1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2cccc(C(C)C)c2n1CC(C)CCC
InChIInChI=1S/C20H29N/c1-7-9-16(6)13-21-19(15(4)5)12-17-10-8-11-18(14(2)3)20(17)21/h8,10-12,14,16H,4,7,9,13H2,1-3,5-6H3
InChIKeyKYOIPJDGEUFRGW-UHFFFAOYSA-N
MW283.46 g/mol
LogP6.23
Rot. Bonds6

About 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole

1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole (PubChem CID 170125427) has the molecular formula C20H29N and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole.

Molecular Properties

Compound Name1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole
PubChem CID170125427
Molecular FormulaC20H29N
Molecular Weight283.46 g/mol
Exact Mass283.23
IUPAC Name1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole
SMILESC=C(C)c1cc2cccc(C(C)C)c2n1CC(C)CCC
InChIInChI=1S/C20H29N/c1-7-9-16(6)13-21-19(15(4)5)12-17-10-8-11-18(14(2)3)20(17)21/h8,10-12,14,16H,4,7,9,13H2,1-3,5-6H3
InChIKeyKYOIPJDGEUFRGW-UHFFFAOYSA-N
XLogP6.23
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.46
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080426
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid
CID 159007236
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
butane;1-propan-2-ylnaphthalene
CID 157253186
(1R)-1-(2-propan-2-ylphenyl)butan-1-amine
CID 55278414
N-(2-methylidenebutyl)-2-propan-2-ylaniline
CID 66045915
2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
CID 103284745
1-[5-methyl-7-propan-2-yl-1-[(4-prop-1-en-2-yl-2-pyridinyl)methyl]indol-2-yl]ethanone
CID 158280277
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
5-propan-2-ylnaphthalen-2-ol
CID 19011144
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole?
The IUPAC name of 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole (CID 170125427) is 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole.
What is the SMILES notation for 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole?
The canonical SMILES for 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole is C=C(C)c1cc2cccc(C(C)C)c2n1CC(C)CCC.
What is the InChIKey of 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole?
The InChIKey is KYOIPJDGEUFRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N/c1-7-9-16(6)13-21-19(15(4)5)12-17-10-8-11-18(14(2)3)20(17)21/h8,10-12,14,16H,4,7,9,13H2,1-3,5-6H3.
What are the key properties of 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole?
1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole has a molecular weight of 283.46 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole is sourced from PubChem (CID 170125427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).