1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine

C19H29NO — CID 63505070

IUPAC1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCCCC1
InChIInChI=1S/C19H29NO/c1-19(2)13-16-12-15(10-11-17(16)21-19)18(20-3)14-8-6-4-5-7-9-14/h10-12,14,18,20H,4-9,13H2,1-3H3
InChIKeyAOJIKJLFLHGGNK-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.63
Rot. Bonds3

About 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine

1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine (PubChem CID 63505070) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
PubChem CID63505070
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine
SMILESCNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCCCC1
InChIInChI=1S/C19H29NO/c1-19(2)13-16-12-15(10-11-17(16)21-19)18(20-3)14-8-6-4-5-7-9-14/h10-12,14,18,20H,4-9,13H2,1-3H3
InChIKeyAOJIKJLFLHGGNK-UHFFFAOYSA-N
XLogP4.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine (CID 63505070) is 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine is CNC(c1ccc2c(c1)CC(C)(C)O2)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
The InChIKey is AOJIKJLFLHGGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)13-16-12-15(10-11-17(16)21-19)18(20-3)14-8-6-4-5-7-9-14/h10-12,14,18,20H,4-9,13H2,1-3H3.
What are the key properties of 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine?
1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 63505070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).