1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine

C19H30N2O — CID 78903432

IUPAC1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C19H30N2O/c1-21(2)18(16-6-4-3-5-7-16)14-20-13-15-8-9-19-17(12-15)10-11-22-19/h8-9,12,16,18,20H,3-7,10-11,13-14H2,1-2H3
InChIKeyPCJDONCVBISJBX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.22
Rot. Bonds6

About 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine

1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine (PubChem CID 78903432) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine
PubChem CID78903432
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine
SMILESCN(C)C(CNCc1ccc2c(c1)CCO2)C1CCCCC1
InChIInChI=1S/C19H30N2O/c1-21(2)18(16-6-4-3-5-7-16)14-20-13-15-8-9-19-17(12-15)10-11-22-19/h8-9,12,16,18,20H,3-7,10-11,13-14H2,1-2H3
InChIKeyPCJDONCVBISJBX-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904175
3-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-5-methylhexan-1-ol
CID 111498606
4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]-N,N-dimethylaniline
CID 43804179
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43804204
1-amino-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)propan-2-ol
CID 115121424
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2,2,3-trimethylbutan-1-amine
CID 102609948
(2,3-dihydro-1-benzofuran-5-ylmethylamino)methanethiol
CID 59518007
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79351788
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 55037976
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115756831
2-cyclohexyl-2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethanamine
CID 166262817
[4-[(2,3-dihydro-1-benzofuran-5-ylmethylamino)methyl]phenyl]methanamine
CID 115213219

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine (CID 78903432) is 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine is CN(C)C(CNCc1ccc2c(c1)CCO2)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine?
The InChIKey is PCJDONCVBISJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-21(2)18(16-6-4-3-5-7-16)14-20-13-15-8-9-19-17(12-15)10-11-22-19/h8-9,12,16,18,20H,3-7,10-11,13-14H2,1-2H3.
What are the key properties of 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine?
1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine has a molecular weight of 302.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 78903432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).