1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

C17H26N2O2 — CID 63880282

IUPAC1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCCNC(CN(C)CC1CC1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-4-18-15(10-19(3)9-14-7-12(14)2)13-5-6-16-17(8-13)21-11-20-16/h5-6,8,12,14-15,18H,4,7,9-11H2,1-3H3
InChIKeyQXSWNSCIKMQOHZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.65
Rot. Bonds7

About 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine

1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (PubChem CID 63880282) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
PubChem CID63880282
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
SMILESCCNC(CN(C)CC1CC1C)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H26N2O2/c1-4-18-15(10-19(3)9-14-7-12(14)2)13-5-6-16-17(8-13)21-11-20-16/h5-6,8,12,14-15,18H,4,7,9-11H2,1-3H3
InChIKeyQXSWNSCIKMQOHZ-UHFFFAOYSA-N
XLogP2.65
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N'-(cyclopentylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 63631410
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 104542703
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyloctan-1-amine
CID 43490459
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
1-(3,4-dimethoxyphenyl)-N,N'-dimethyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63878903
2-butan-2-ylsulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylethanamine
CID 64613831
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274557
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
ethyl 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)acetate
CID 60785863
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(3-methoxypropylsulfanyl)ethanamine
CID 64628475
N-(aziridin-2-ylmethyl)-1-(1,3-benzodioxol-5-yl)butan-1-amine
CID 163928777

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine (CID 63880282) is 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is CCNC(CN(C)CC1CC1C)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
The InChIKey is QXSWNSCIKMQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-15(10-19(3)9-14-7-12(14)2)13-5-6-16-17(8-13)21-11-20-16/h5-6,8,12,14-15,18H,4,7,9-11H2,1-3H3.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine?
1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63880282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).