N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine

C19H29NO — CID 65306067

IUPACN-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
SMILESCC1(C)Cc2cc(CCCCCCNC3CC3)ccc2O1
InChIInChI=1S/C19H29NO/c1-19(2)14-16-13-15(8-11-18(16)21-19)7-5-3-4-6-12-20-17-9-10-17/h8,11,13,17,20H,3-7,9-10,12,14H2,1-2H3
InChIKeyUVTZVOPUYUPJNX-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.26
Rot. Bonds8

About N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine

N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine (PubChem CID 65306067) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine.

Molecular Properties

Compound NameN-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
PubChem CID65306067
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC NameN-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine
SMILESCC1(C)Cc2cc(CCCCCCNC3CC3)ccc2O1
InChIInChI=1S/C19H29NO/c1-19(2)14-16-13-15(8-11-18(16)21-19)7-5-3-4-6-12-20-17-9-10-17/h8,11,13,17,20H,3-7,9-10,12,14H2,1-2H3
InChIKeyUVTZVOPUYUPJNX-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The IUPAC name of N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine (CID 65306067) is N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine.
What is the SMILES notation for N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The canonical SMILES for N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine is CC1(C)Cc2cc(CCCCCCNC3CC3)ccc2O1.
What is the InChIKey of N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine?
The InChIKey is UVTZVOPUYUPJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-19(2)14-16-13-15(8-11-18(16)21-19)7-5-3-4-6-12-20-17-9-10-17/h8,11,13,17,20H,3-7,9-10,12,14H2,1-2H3.
What are the key properties of N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine?
N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,2-dimethyl-3H-1-benzofuran-5-yl)hexyl]cyclopropanamine is sourced from PubChem (CID 65306067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).