1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

C17H26N2O — CID 114544809

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H26N2O/c1-17(2)7-5-14(10-17)19-15(11-18)12-3-4-16-13(9-12)6-8-20-16/h3-4,9,14-15,19H,5-8,10-11,18H2,1-2H3
InChIKeyMORUUUYFGXXCCG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine

1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544809) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
PubChem CID114544809
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)c2ccc3c(c2)CCO3)C1
InChIInChI=1S/C17H26N2O/c1-17(2)7-5-14(10-17)19-15(11-18)12-3-4-16-13(9-12)6-8-20-16/h3-4,9,14-15,19H,5-8,10-11,18H2,1-2H3
InChIKeyMORUUUYFGXXCCG-UHFFFAOYSA-N
XLogP2.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylethane-1,2-diamine
CID 62065655
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 65379062
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopropanamine
CID 43754666
[1-(aminomethyl)-3-methylcyclohexyl]-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 79137707
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
N-(3-chloro-4-methylphenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 104721726
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 116947980
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclohexanamine
CID 43756029
N-[2,3-dihydro-1-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001033

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine (CID 114544809) is 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)c2ccc3c(c2)CCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
The InChIKey is MORUUUYFGXXCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2)7-5-14(10-17)19-15(11-18)12-3-4-16-13(9-12)6-8-20-16/h3-4,9,14-15,19H,5-8,10-11,18H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).