1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine

C18H29N — CID 80603495

IUPAC1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCCCC2)c(C)c1
InChIInChI=1S/C18H29N/c1-14-11-15(2)17(16(3)12-14)13-18(19)9-7-5-4-6-8-10-18/h11-12H,4-10,13,19H2,1-3H3
InChIKeyLKWPIQIOJWBNKD-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.60
Rot. Bonds2

About 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine

1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine (PubChem CID 80603495) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine.

Molecular Properties

Compound Name1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
PubChem CID80603495
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine
SMILESCc1cc(C)c(CC2(N)CCCCCCC2)c(C)c1
InChIInChI=1S/C18H29N/c1-14-11-15(2)17(16(3)12-14)13-18(19)9-7-5-4-6-8-10-18/h11-12H,4-10,13,19H2,1-3H3
InChIKeyLKWPIQIOJWBNKD-UHFFFAOYSA-N
XLogP4.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine?
The IUPAC name of 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine (CID 80603495) is 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine.
What is the SMILES notation for 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine?
The canonical SMILES for 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine is Cc1cc(C)c(CC2(N)CCCCCCC2)c(C)c1.
What is the InChIKey of 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine?
The InChIKey is LKWPIQIOJWBNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-14-11-15(2)17(16(3)12-14)13-18(19)9-7-5-4-6-8-10-18/h11-12H,4-10,13,19H2,1-3H3.
What are the key properties of 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine?
1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4,6-trimethylphenyl)methyl]cyclooctan-1-amine is sourced from PubChem (CID 80603495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).