1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine

C16H24N2O — CID 115317243

IUPAC1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1cc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-12(2)15(17)8-9-18(3)11-14-10-13-6-4-5-7-16(13)19-14/h4-7,10,12,15H,8-9,11,17H2,1-3H3
InChIKeyQDBSBCSUEYKHFC-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.24
Rot. Bonds6

About 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine

1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115317243) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115317243
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1cc2ccccc2o1
InChIInChI=1S/C16H24N2O/c1-12(2)15(17)8-9-18(3)11-14-10-13-6-4-5-7-16(13)19-14/h4-7,10,12,15H,8-9,11,17H2,1-3H3
InChIKeyQDBSBCSUEYKHFC-UHFFFAOYSA-N
XLogP3.24
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-2-ylmethyl)-N,2-dimethylpropanamide
CID 110732890
2-[1-benzofuran-2-ylmethyl(methyl)amino]acetic acid;hydrochloride
CID 119032828
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
N-(1-benzofuran-2-ylmethyl)-N,3-dimethylbutanamide
CID 110732893
N-(1-benzofuran-2-ylmethyl)-N',N'-diethyl-N-methyldecane-1,10-diamine;iodoethane
CID 45127733
1-(1-benzofuran-2-yl)-4,4-dimethylpentan-3-amine
CID 114733291
1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
CID 115317920
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
1-(1-benzofuran-2-yl)pentan-2-amine
CID 139946655
N-(1-benzofuran-2-ylmethyl)-N-methylpyridin-2-amine
CID 133355483
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
(2S)-1-(1-benzofuran-2-yl)pentan-2-amine;hydrochloride
CID 139947537

Frequently Asked Questions

What is the IUPAC name of 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine (CID 115317243) is 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1cc2ccccc2o1.
What is the InChIKey of 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is QDBSBCSUEYKHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)15(17)8-9-18(3)11-14-10-13-6-4-5-7-16(13)19-14/h4-7,10,12,15H,8-9,11,17H2,1-3H3.
What are the key properties of 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine?
1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-benzofuran-2-ylmethyl)-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115317243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).