N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

C15H22N2O — CID 80702542

IUPACN'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1coc2ccccc12)CC(C)(C)CN
InChIInChI=1S/C15H22N2O/c1-15(2,10-16)11-17(3)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9H,8,10-11,16H2,1-3H3
InChIKeyOQJIEQAYRKWNOK-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.85
Rot. Bonds5

About N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 80702542) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID80702542
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1coc2ccccc12)CC(C)(C)CN
InChIInChI=1S/C15H22N2O/c1-15(2,10-16)11-17(3)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9H,8,10-11,16H2,1-3H3
InChIKeyOQJIEQAYRKWNOK-UHFFFAOYSA-N
XLogP2.85
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(1-benzofuran-3-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199967
N'-[(2-chlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928722
N-(1-benzofuran-3-ylmethyl)-N-methylbut-2-en-1-amine
CID 176732018
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
4-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylaniline
CID 117041671
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclopentan-1-amine
CID 80703288
2-(aminomethyl)-N-(1-benzofuran-3-ylmethyl)-N-methylcyclohexan-1-amine
CID 80703550
1-(azetidin-3-yl)-N-(1-benzofuran-3-ylmethyl)-N-methylmethanamine
CID 115207722
N'-(1-benzofuran-3-ylmethyl)-N,N'-dimethylbutane-1,4-diamine
CID 115202069
N-(1-benzofuran-3-ylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204462

Frequently Asked Questions

What is the IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine (CID 80702542) is N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is CN(Cc1coc2ccccc12)CC(C)(C)CN.
What is the InChIKey of N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is OQJIEQAYRKWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,10-16)11-17(3)8-12-9-18-14-7-5-4-6-13(12)14/h4-7,9H,8,10-11,16H2,1-3H3.
What are the key properties of N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 246.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-benzofuran-3-ylmethyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 80702542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).