3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine

C13H18N2O — CID 43264901

IUPAC3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(C1CC1)C1COc2ccccc2C1N
InChIInChI=1S/C13H18N2O/c1-15(9-6-7-9)11-8-16-12-5-3-2-4-10(12)13(11)14/h2-5,9,11,13H,6-8,14H2,1H3
InChIKeyRIOOYOIVDUGURZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.54
Rot. Bonds2

About 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine

3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine (PubChem CID 43264901) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
PubChem CID43264901
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
SMILESCN(C1CC1)C1COc2ccccc2C1N
InChIInChI=1S/C13H18N2O/c1-15(9-6-7-9)11-8-16-12-5-3-2-4-10(12)13(11)14/h2-5,9,11,13H,6-8,14H2,1H3
InChIKeyRIOOYOIVDUGURZ-UHFFFAOYSA-N
XLogP1.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-cyclohexyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 60725605
3-N,3-N-diethyl-3,4-dihydro-2H-chromene-3,4-diamine
CID 43184438
(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
(3S,4R)-3-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 174973153
(3R)-2,3-dihydro-1-benzofuran-3-amine
CID 40787193
3-N-(2-methoxyethyl)-3-N-propan-2-yl-3,4-dihydro-2H-chromene-3,4-diamine
CID 82965010
(3S)-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
CID 119030525
1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-amine
CID 102547899
(4-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 64814696
3-[methyl-(1-methylpiperidin-3-yl)amino]-3,4-dihydro-2H-chromen-4-ol
CID 62545588
N,N-dimethyl-2,3-dihydro-1-benzofuran-3-amine
CID 45088771

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The IUPAC name of 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine (CID 43264901) is 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The canonical SMILES for 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine is CN(C1CC1)C1COc2ccccc2C1N.
What is the InChIKey of 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
The InChIKey is RIOOYOIVDUGURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15(9-6-7-9)11-8-16-12-5-3-2-4-10(12)13(11)14/h2-5,9,11,13H,6-8,14H2,1H3.
What are the key properties of 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine?
3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine has a molecular weight of 218.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3-N-methyl-3,4-dihydro-2H-chromene-3,4-diamine is sourced from PubChem (CID 43264901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).