N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine

C17H26N2O3 — CID 82462399

IUPACN-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC1(C)CC(NCCN(C)C)c2ccc3c(c2O1)OCO3
InChIInChI=1S/C17H26N2O3/c1-5-17(2)10-13(18-8-9-19(3)4)12-6-7-14-16(15(12)22-17)21-11-20-14/h6-7,13,18H,5,8-11H2,1-4H3
InChIKeyIWKPRNKEDAMBBK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.56
Rot. Bonds5

About N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine

N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 82462399) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID82462399
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC1(C)CC(NCCN(C)C)c2ccc3c(c2O1)OCO3
InChIInChI=1S/C17H26N2O3/c1-5-17(2)10-13(18-8-9-19(3)4)12-6-7-14-16(15(12)22-17)21-11-20-14/h6-7,13,18H,5,8-11H2,1-4H3
InChIKeyIWKPRNKEDAMBBK-UHFFFAOYSA-N
XLogP2.56
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462196
N-(2-ethyl-2-methyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462120
N-(2-ethyl-2,6-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82462158
N',N'-dimethyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461776
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
N-(6-ethyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82461812
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
2-ethyl-N,2-dimethyl-3,4-dihydrochromen-4-amine
CID 82462113
N-(6-methoxyspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82462781

Frequently Asked Questions

What is the IUPAC name of N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine (CID 82462399) is N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine is CCC1(C)CC(NCCN(C)C)c2ccc3c(c2O1)OCO3.
What is the InChIKey of N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is IWKPRNKEDAMBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-17(2)10-13(18-8-9-19(3)4)12-6-7-14-16(15(12)22-17)21-11-20-14/h6-7,13,18H,5,8-11H2,1-4H3.
What are the key properties of N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine?
N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 306.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethyl-8-methyl-6,7-dihydro-[1,3]dioxolo[4,5-h]chromen-6-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82462399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).