6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol

C18H31NO — CID 151069189

IUPAC6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol
SMILESCc1cc(C)c(CC(CN)CCCC(C)(C)O)c(C)c1
InChIInChI=1S/C18H31NO/c1-13-9-14(2)17(15(3)10-13)11-16(12-19)7-6-8-18(4,5)20/h9-10,16,20H,6-8,11-12,19H2,1-5H3
InChIKeyMHTSCBODVLYKHN-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.67
Rot. Bonds7

About 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol

6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol (PubChem CID 151069189) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol.

Molecular Properties

Compound Name6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol
PubChem CID151069189
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol
SMILESCc1cc(C)c(CC(CN)CCCC(C)(C)O)c(C)c1
InChIInChI=1S/C18H31NO/c1-13-9-14(2)17(15(3)10-13)11-16(12-19)7-6-8-18(4,5)20/h9-10,16,20H,6-8,11-12,19H2,1-5H3
InChIKeyMHTSCBODVLYKHN-UHFFFAOYSA-N
XLogP3.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol?
The IUPAC name of 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol (CID 151069189) is 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol.
What is the SMILES notation for 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol?
The canonical SMILES for 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol is Cc1cc(C)c(CC(CN)CCCC(C)(C)O)c(C)c1.
What is the InChIKey of 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol?
The InChIKey is MHTSCBODVLYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-13-9-14(2)17(15(3)10-13)11-16(12-19)7-6-8-18(4,5)20/h9-10,16,20H,6-8,11-12,19H2,1-5H3.
What are the key properties of 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol?
6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol has a molecular weight of 277.45 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-2-methyl-7-(2,4,6-trimethylphenyl)heptan-2-ol is sourced from PubChem (CID 151069189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).