N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

C18H25NO — CID 63733717

IUPACN-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H25NO/c1-2-10-19-18(14-6-4-3-5-7-14)15-8-9-16-12-20-13-17(16)11-15/h6,8-9,11,18-19H,2-5,7,10,12-13H2,1H3
InChIKeyXRSVOZLNDYOJJV-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.26
Rot. Bonds5

About N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine

N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (PubChem CID 63733717) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
PubChem CID63733717
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine
SMILESCCCNC(C1=CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C18H25NO/c1-2-10-19-18(14-6-4-3-5-7-14)15-8-9-16-12-20-13-17(16)11-15/h6,8-9,11,18-19H,2-5,7,10,12-13H2,1H3
InChIKeyXRSVOZLNDYOJJV-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[cyclopenten-1-yl(2,3-dihydro-1-benzofuran-5-yl)methyl]propan-1-amine
CID 62200506
N-[(3-chloro-4-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656180
N-[(4-bromo-3-methylphenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106656448
N-[cyclohexen-1-yl-(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 62079043
N-[(4-chlorophenyl)-[(1E)-cycloocten-1-yl]methyl]propan-1-amine
CID 106652441
N-[cyclohepten-1-yl(furan-3-yl)methyl]propan-1-amine
CID 62080388
N-[[(1E)-cycloocten-1-yl]-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107977973
N-[(3-bromo-4-methylphenyl)-(cyclopenten-1-yl)methyl]propan-1-amine
CID 81471927
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
3-[cyclohexen-1-yl(propylamino)methyl]-N,N-dimethylaniline
CID 106657376
N-[1,3-dihydro-2-benzofuran-5-yl(thiophen-2-yl)methyl]propan-1-amine
CID 63020418
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine (CID 63733717) is N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is CCCNC(C1=CCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
The InChIKey is XRSVOZLNDYOJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-10-19-18(14-6-4-3-5-7-14)15-8-9-16-12-20-13-17(16)11-15/h6,8-9,11,18-19H,2-5,7,10,12-13H2,1H3.
What are the key properties of N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine?
N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine has a molecular weight of 271.40 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 63733717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).