N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine

C18H28N2O — CID 43804474

IUPACN-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O/c1-2-20(16-6-4-3-5-7-16)17(13-19)14-8-9-18-15(12-14)10-11-21-18/h8-9,12,16-17H,2-7,10-11,13,19H2,1H3
InChIKeyQMQVUSBIOKGYIG-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.28
Rot. Bonds5

About N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine

N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine (PubChem CID 43804474) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
PubChem CID43804474
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
SMILESCCN(C1CCCCC1)C(CN)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H28N2O/c1-2-20(16-6-4-3-5-7-16)17(13-19)14-8-9-18-15(12-14)10-11-21-18/h8-9,12,16-17H,2-7,10-11,13,19H2,1H3
InChIKeyQMQVUSBIOKGYIG-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
1-(3-bromo-4-fluorophenyl)-N-cyclohexyl-N-ethylethane-1,2-diamine
CID 43180412
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477512
N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
2,3-dihydro-1-benzofuran-5-yl-(2-ethylcyclohexyl)methanamine
CID 115862636
(S)-cyclohexyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 28500273
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
N-cyclopropyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 113328405
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine (CID 43804474) is N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine is CCN(C1CCCCC1)C(CN)c1ccc2c(c1)CCO2.
What is the InChIKey of N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine?
The InChIKey is QMQVUSBIOKGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-20(16-6-4-3-5-7-16)17(13-19)14-8-9-18-15(12-14)10-11-21-18/h8-9,12,16-17H,2-7,10-11,13,19H2,1H3.
What are the key properties of N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine?
N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine has a molecular weight of 288.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 43804474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).