N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine

C14H22N2O — CID 115201852

IUPACN'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-15-8-3-4-9-16(2)13-5-6-14-12(11-13)7-10-17-14/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyNJTQEJZRJLVIOK-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.06
Rot. Bonds6

About N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine

N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine (PubChem CID 115201852) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
PubChem CID115201852
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine
SMILESCNCCCCN(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H22N2O/c1-15-8-3-4-9-16(2)13-5-6-14-12(11-13)7-10-17-14/h5-6,11,15H,3-4,7-10H2,1-2H3
InChIKeyNJTQEJZRJLVIOK-UHFFFAOYSA-N
XLogP2.06
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbutane-1,4-diamine
CID 115201733
2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]acetonitrile
CID 115130911
N'-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpropane-1,3-diamine
CID 115197732
6-[methyl-[4-(methylamino)butyl]amino]-4H-1,4-benzoxazin-3-one
CID 115201828
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
1-N-(3,4-dihydro-2H-chromen-6-yl)-1-N,4-dimethylpentane-1,4-diamine
CID 115205260
5-[methyl-[4-(methylamino)butyl]amino]-1,3-dihydroindol-2-one
CID 115201801
3-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]propane-1,2-diol
CID 115122056
5-methyl-7-[methyl-[2-(methylamino)ethyl]amino]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82501361
N'-(4-bromophenyl)-N,N'-dimethylbutane-1,4-diamine
CID 115201768
N'-(1,3-benzodioxol-5-yl)-N,N'-dimethylethane-1,2-diamine
CID 82492500

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine (CID 115201852) is N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine is CNCCCCN(C)c1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine?
The InChIKey is NJTQEJZRJLVIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15-8-3-4-9-16(2)13-5-6-14-12(11-13)7-10-17-14/h5-6,11,15H,3-4,7-10H2,1-2H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine?
N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylbutane-1,4-diamine is sourced from PubChem (CID 115201852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).