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

C16H26N2O — CID 116905822

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-16(2,17)9-7-14(18(3)4)12-5-6-15-13(11-12)8-10-19-15/h5-6,11,14H,7-10,17H2,1-4H3
InChIKeyTZTUEKYFCKNGLT-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.74
Rot. Bonds5

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

1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine (PubChem CID 116905822) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
PubChem CID116905822
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine
SMILESCN(C)C(CCC(C)(C)N)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H26N2O/c1-16(2,17)9-7-14(18(3)4)12-5-6-15-13(11-12)8-10-19-15/h5-6,11,14H,7-10,17H2,1-4H3
InChIKeyTZTUEKYFCKNGLT-UHFFFAOYSA-N
XLogP2.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905506
N'-cyclopropyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N,N-dimethylethane-1,2-diamine
CID 116906138
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
1-(2,3-dihydro-1-benzofuran-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 113425110
1-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-pentan-2-ylethane-1,2-diamine
CID 43804523
1-N,1-N,4-trimethyl-1-(4-methylsulfanylphenyl)pentane-1,4-diamine
CID 116905819
1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N',N'-trimethylpropane-1,3-diamine
CID 104542785
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-methylbutane-1,3-diamine
CID 115200827
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
N-butyl-1-(2,3-dihydro-1-benzofuran-5-yl)-N-methylethane-1,2-diamine
CID 43804484

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine (CID 116905822) is 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine is CN(C)C(CCC(C)(C)N)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
The InChIKey is TZTUEKYFCKNGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,17)9-7-14(18(3)4)12-5-6-15-13(11-12)8-10-19-15/h5-6,11,14H,7-10,17H2,1-4H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine?
1-(2,3-dihydro-1-benzofuran-5-yl)-1-N,1-N,4-trimethylpentane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 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)-1-N,1-N,4-trimethylpentane-1,4-diamine is sourced from PubChem (CID 116905822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).