2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol

C25H30N2O — CID 102282092

IUPAC2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
SMILESCC(C)C(O)CCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C25H30N2O/c1-17(2)25(28)14-13-18(21-15-26(3)23-11-7-5-9-19(21)23)22-16-27(4)24-12-8-6-10-20(22)24/h5-12,15-18,25,28H,13-14H2,1-4H3
InChIKeyKNKUMRDXBKVQNC-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.60
Rot. Bonds6

About 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol

2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol (PubChem CID 102282092) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol.

Molecular Properties

Compound Name2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
PubChem CID102282092
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol
SMILESCC(C)C(O)CCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12
InChIInChI=1S/C25H30N2O/c1-17(2)25(28)14-13-18(21-15-26(3)23-11-7-5-9-19(21)23)22-16-27(4)24-12-8-6-10-20(22)24/h5-12,15-18,25,28H,13-14H2,1-4H3
InChIKeyKNKUMRDXBKVQNC-UHFFFAOYSA-N
XLogP5.60
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 22019303
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(1S)-3-amino-1-(1-methylindol-3-yl)propan-1-ol
CID 95438673
1-(1-methylindol-3-yl)-3-sulfanylpropane-1,2-diol
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1-(1-methylindol-3-yl)-2-sulfanylethanol
CID 116830001
(3S)-N-methyl-3-(1-methylindol-3-yl)-3-phenylpropan-1-amine
CID 58088577
3-[1,1-bis(1-methylindol-3-yl)hexan-3-yl]-1-methylindole
CID 101399617
3-(1-chloroethyl)-1-methylindole
CID 174876256
3-(1-bromoethyl)-1-methylindole
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CID 129132134

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol?
The IUPAC name of 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol (CID 102282092) is 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol.
What is the SMILES notation for 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol?
The canonical SMILES for 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol is CC(C)C(O)CCC(c1cn(C)c2ccccc12)c1cn(C)c2ccccc12.
What is the InChIKey of 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol?
The InChIKey is KNKUMRDXBKVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-17(2)25(28)14-13-18(21-15-26(3)23-11-7-5-9-19(21)23)22-16-27(4)24-12-8-6-10-20(22)24/h5-12,15-18,25,28H,13-14H2,1-4H3.
What are the key properties of 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol?
2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol has a molecular weight of 374.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6-bis(1-methylindol-3-yl)hexan-3-ol is sourced from PubChem (CID 102282092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).