1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine

C18H25NO — CID 64508357

IUPAC1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
SMILESCC1(C)Cc2cccc(CNC(C3CC3)C3CC3)c2O1
InChIInChI=1S/C18H25NO/c1-18(2)10-14-4-3-5-15(17(14)20-18)11-19-16(12-6-7-12)13-8-9-13/h3-5,12-13,16,19H,6-11H2,1-2H3
InChIKeyYOUWCUIYWBLYLO-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.68
Rot. Bonds5

About 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine

1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine (PubChem CID 64508357) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
PubChem CID64508357
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine
SMILESCC1(C)Cc2cccc(CNC(C3CC3)C3CC3)c2O1
InChIInChI=1S/C18H25NO/c1-18(2)10-14-4-3-5-15(17(14)20-18)11-19-16(12-6-7-12)13-8-9-13/h3-5,12-13,16,19H,6-11H2,1-2H3
InChIKeyYOUWCUIYWBLYLO-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine (CID 64508357) is 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine is CC1(C)Cc2cccc(CNC(C3CC3)C3CC3)c2O1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine?
The InChIKey is YOUWCUIYWBLYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-18(2)10-14-4-3-5-15(17(14)20-18)11-19-16(12-6-7-12)13-8-9-13/h3-5,12-13,16,19H,6-11H2,1-2H3.
What are the key properties of 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine?
1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine has a molecular weight of 271.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]methanamine is sourced from PubChem (CID 64508357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).