2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine

C18H30N2O — CID 79665281

IUPAC2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1Cc2cc(C)ccc2O1)CC(C)(C)CN
InChIInChI=1S/C18H30N2O/c1-5-8-20(13-18(3,4)12-19)11-16-10-15-9-14(2)6-7-17(15)21-16/h6-7,9,16H,5,8,10-13,19H2,1-4H3
InChIKeyALMHHHVTHOKVQW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.00
Rot. Bonds7

About 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine

2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine (PubChem CID 79665281) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
PubChem CID79665281
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine
SMILESCCCN(CC1Cc2cc(C)ccc2O1)CC(C)(C)CN
InChIInChI=1S/C18H30N2O/c1-5-8-20(13-18(3,4)12-19)11-16-10-15-9-14(2)6-7-17(15)21-16/h6-7,9,16H,5,8,10-13,19H2,1-4H3
InChIKeyALMHHHVTHOKVQW-UHFFFAOYSA-N
XLogP3.00
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine (CID 79665281) is 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine is CCCN(CC1Cc2cc(C)ccc2O1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine?
The InChIKey is ALMHHHVTHOKVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-8-20(13-18(3,4)12-19)11-16-10-15-9-14(2)6-7-17(15)21-16/h6-7,9,16H,5,8,10-13,19H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine?
2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79665281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).