3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine

C15H22N2O2 — CID 61431445

IUPAC3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(CC1CCCO1)C1COc2ccccc2C1N
InChIInChI=1S/C15H22N2O2/c1-17(9-11-5-4-8-18-11)13-10-19-14-7-3-2-6-12(14)15(13)16/h2-3,6-7,11,13,15H,4-5,8-10,16H2,1H3
InChIKeyZOODIUOESLEVRH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.56
Rot. Bonds3

About 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine

3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 61431445) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID61431445
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(CC1CCCO1)C1COc2ccccc2C1N
InChIInChI=1S/C15H22N2O2/c1-17(9-11-5-4-8-18-11)13-10-19-14-7-3-2-6-12(14)15(13)16/h2-3,6-7,11,13,15H,4-5,8-10,16H2,1H3
InChIKeyZOODIUOESLEVRH-UHFFFAOYSA-N
XLogP1.56
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 115418947
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
cis-(1R,2S)-2-N-methyl-2-N-[[(2S)-oxolan-2-yl]methyl]cyclohexane-1,2-diamine
CID 129430640
3-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-1,1-bis[[(2S)-oxolan-2-yl]methyl]urea
CID 97016848
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
2-N-methyl-2-N-(oxan-2-ylmethyl)cyclooctane-1,2-diamine
CID 61431779
1-N,3,3-trimethyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 79828435
N,4-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 81459927
N-methyl-1-(oxolan-2-yl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)methanamine
CID 65262274
2-N-methyl-4-(2-methylbutan-2-yl)-2-N-(oxolan-2-ylmethyl)cyclohexane-1,2-diamine
CID 61431444

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine (CID 61431445) is 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine is CN(CC1CCCO1)C1COc2ccccc2C1N.
What is the InChIKey of 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is ZOODIUOESLEVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17(9-11-5-4-8-18-11)13-10-19-14-7-3-2-6-12(14)15(13)16/h2-3,6-7,11,13,15H,4-5,8-10,16H2,1H3.
What are the key properties of 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine?
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 262.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 61431445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).