N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine

C18H30N2O — CID 82462196

IUPACN-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC1(C)CC(NCCN(C)C)c2ccc(C)c(C)c2O1
InChIInChI=1S/C18H30N2O/c1-7-18(4)12-16(19-10-11-20(5)6)15-9-8-13(2)14(3)17(15)21-18/h8-9,16,19H,7,10-12H2,1-6H3
InChIKeyYATQLAFJTVLFKG-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.45
Rot. Bonds5

About N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine

N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 82462196) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID82462196
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCCC1(C)CC(NCCN(C)C)c2ccc(C)c(C)c2O1
InChIInChI=1S/C18H30N2O/c1-7-18(4)12-16(19-10-11-20(5)6)15-9-8-13(2)14(3)17(15)21-18/h8-9,16,19H,7,10-12H2,1-6H3
InChIKeyYATQLAFJTVLFKG-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine with MolForge

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Related Compounds

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
N',N'-diethyl-N-(2,2,7,8-tetramethyl-3,4-dihydrochromen-4-yl)ethane-1,2-diamine
CID 82461834
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
N-butyl-2-ethyl-2,7-dimethyl-3,4-dihydrochromen-4-amine
CID 82462139
N-ethyl-7,8-dimethylspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-amine
CID 82462884
2-ethyl-2-methyl-N-pentyl-3,4-dihydrochromen-4-amine
CID 82462123
2-ethyl-N-hexyl-2,6-dimethyl-3,4-dihydrochromen-4-amine
CID 82462153
8,9-dimethyl-N-propyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43512197
2-ethyl-2,6-dimethyl-N-[(4-methylphenyl)methyl]-3,4-dihydrochromen-4-amine
CID 82462162
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine (CID 82462196) is N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine is CCC1(C)CC(NCCN(C)C)c2ccc(C)c(C)c2O1.
What is the InChIKey of N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is YATQLAFJTVLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-18(4)12-16(19-10-11-20(5)6)15-9-8-13(2)14(3)17(15)21-18/h8-9,16,19H,7,10-12H2,1-6H3.
What are the key properties of N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine?
N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2,7,8-trimethyl-3,4-dihydrochromen-4-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 82462196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).