3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine

C13H20N2O — CID 43184438

IUPAC3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCCN(CC)C1COc2ccccc2C1N
InChIInChI=1S/C13H20N2O/c1-3-15(4-2)11-9-16-12-8-6-5-7-10(12)13(11)14/h5-8,11,13H,3-4,9,14H2,1-2H3
InChIKeyMYAZPNCNGNBSIL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.79
Rot. Bonds3

About 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine

3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 43184438) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID43184438
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCCN(CC)C1COc2ccccc2C1N
InChIInChI=1S/C13H20N2O/c1-3-15(4-2)11-9-16-12-8-6-5-7-10(12)13(11)14/h5-8,11,13H,3-4,9,14H2,1-2H3
InChIKeyMYAZPNCNGNBSIL-UHFFFAOYSA-N
XLogP1.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43264901
(4S)-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 68776309
3-N-methyl-3-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 61431445
3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
3-N-(2-methoxyethyl)-3-N-propan-2-yl-3,4-dihydro-2H-chromene-3,4-diamine
CID 82965010
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
(3R,4S)-4-methyl-N,N-dipropyl-3,4-dihydro-2H-chromen-3-amine
CID 10538469
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
N-butyl-N-ethyl-2,3-dihydro-1-benzofuran-3-amine
CID 90805957
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
3-N-ethyl-4-N-methyl-3-N-(2-methylbutyl)-3,4-dihydro-2H-chromene-3,4-diamine
CID 79476936

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine (CID 43184438) is 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine is CCN(CC)C1COc2ccccc2C1N.
What is the InChIKey of 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is MYAZPNCNGNBSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15(4-2)11-9-16-12-8-6-5-7-10(12)13(11)14/h5-8,11,13H,3-4,9,14H2,1-2H3.
What are the key properties of 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine?
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 43184438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).