(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine

C19H25NO — CID 134559936

IUPAC(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/C1CCCCC1)Cc1coc2ccccc12
InChIInChI=1S/C19H25NO/c1-20(13-7-10-16-8-3-2-4-9-16)14-17-15-21-19-12-6-5-11-18(17)19/h5-7,10-12,15-16H,2-4,8-9,13-14H2,1H3/b10-7+
InChIKeyYVXSXJFBFQPHRJ-JXMROGBWSA-N
MW283.41 g/mol
LogP5.00
Rot. Bonds5

About (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine

(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine (PubChem CID 134559936) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
PubChem CID134559936
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine
SMILESCN(C/C=C/C1CCCCC1)Cc1coc2ccccc12
InChIInChI=1S/C19H25NO/c1-20(13-7-10-16-8-3-2-4-9-16)14-17-15-21-19-12-6-5-11-18(17)19/h5-7,10-12,15-16H,2-4,8-9,13-14H2,1H3/b10-7+
InChIKeyYVXSXJFBFQPHRJ-JXMROGBWSA-N
XLogP5.00
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.41
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine with MolForge

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
(E)-N-(1-benzofuran-7-ylmethyl)-3-cyclopentyl-N-methylprop-2-en-1-amine
CID 127050914
(2E,4E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-5-(4-phenylphenyl)penta-2,4-dien-1-amine
CID 134559949
3-cyclohexyl-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 176731758
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 80703550
methyl 4-[(E)-3-[1-benzofuran-3-ylmethyl(methyl)amino]prop-1-enyl]benzoate
CID 134559937
(E)-N-(1-benzofuran-3-ylmethyl)-N-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine;prop-1-ene
CID 142355183
3-cyclohexyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylprop-2-en-1-amine
CID 176731872
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 80703288
[1-[[1-benzofuran-3-ylmethyl(methyl)amino]methyl]cyclopropyl]methanol
CID 115243599
N-(1-benzofuran-3-ylmethyl)-N-methyl-2-piperazin-1-ylethanamine
CID 80702164

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine?
The IUPAC name of (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine (CID 134559936) is (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine.
What is the SMILES notation for (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine?
The canonical SMILES for (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine is CN(C/C=C/C1CCCCC1)Cc1coc2ccccc12.
What is the InChIKey of (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine?
The InChIKey is YVXSXJFBFQPHRJ-JXMROGBWSA-N. The full InChI is InChI=1S/C19H25NO/c1-20(13-7-10-16-8-3-2-4-9-16)14-17-15-21-19-12-6-5-11-18(17)19/h5-7,10-12,15-16H,2-4,8-9,13-14H2,1H3/b10-7+.
What are the key properties of (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine?
(E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine has a molecular weight of 283.41 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-benzofuran-3-ylmethyl)-3-cyclohexyl-N-methylprop-2-en-1-amine is sourced from PubChem (CID 134559936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).