N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine

C16H26N2O — CID 115204974

IUPACN'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-16(2,12-17)7-8-18(3)11-13-4-5-15-14(10-13)6-9-19-15/h4-5,10H,6-9,11-12,17H2,1-3H3
InChIKeyZBGQHABVXBNPSF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds6

About N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine

N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine (PubChem CID 115204974) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
PubChem CID115204974
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
SMILESCN(CCC(C)(C)CN)Cc1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-16(2,12-17)7-8-18(3)11-13-4-5-15-14(10-13)6-9-19-15/h4-5,10H,6-9,11-12,17H2,1-3H3
InChIKeyZBGQHABVXBNPSF-UHFFFAOYSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-N,3-dimethylbutane-1,3-diamine
CID 115200729
2-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-N,2-dimethylpropane-1,2-diamine
CID 65429361
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]propan-1-ol
CID 115216972
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
3-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-N,3-dimethylbutane-1,3-diamine
CID 115135033
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methylbutane-1,4-diamine
CID 115201324
4-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]butanenitrile
CID 115231859
N'-(1,3-benzoxazol-6-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine
CID 115204972
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylmethanediamine
CID 115226278
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115136296

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The IUPAC name of N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine (CID 115204974) is N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine.
What is the SMILES notation for N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The canonical SMILES for N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine is CN(CCC(C)(C)CN)Cc1ccc2c(c1)CCO2.
What is the InChIKey of N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
The InChIKey is ZBGQHABVXBNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,12-17)7-8-18(3)11-13-4-5-15-14(10-13)6-9-19-15/h4-5,10H,6-9,11-12,17H2,1-3H3.
What are the key properties of N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine?
N'-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.43, 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-ylmethyl)-N',2,2-trimethylbutane-1,4-diamine is sourced from PubChem (CID 115204974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).