3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine

C12H16N2O — CID 105456601

IUPAC3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
SMILESNc1ccc2c(c1)OCC(NC1CC1)C2
InChIInChI=1S/C12H16N2O/c13-9-2-1-8-5-11(14-10-3-4-10)7-15-12(8)6-9/h1-2,6,10-11,14H,3-5,7,13H2
InChIKeyFTXAGDUBGCDNSD-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.32
Rot. Bonds2

About 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine

3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine (PubChem CID 105456601) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
PubChem CID105456601
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
SMILESNc1ccc2c(c1)OCC(NC1CC1)C2
InChIInChI=1S/C12H16N2O/c13-9-2-1-8-5-11(14-10-3-4-10)7-15-12(8)6-9/h1-2,6,10-11,14H,3-5,7,13H2
InChIKeyFTXAGDUBGCDNSD-UHFFFAOYSA-N
XLogP1.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-cyclobutyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105473028
3-(ethylaminomethyl)-3,4-dihydro-2H-chromen-7-amine
CID 105459411
4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105456603
N-cyclopropyl-5-methyl-2,3-dihydro-1H-inden-2-amine
CID 83829022
(3S)-N-(1,4-dithiepan-6-yl)-3,4-dihydro-2H-chromen-3-amine
CID 42213064
4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105491701
[(3R)-7-hydroxy-3,4-dihydro-2H-chromen-3-yl]carbamic acid
CID 137480448
(3R)-7-amino-3,4-dihydro-2H-1,5-benzodioxepin-3-ol
CID 129451298
3-(propylamino)-3,4-dihydro-2H-chromen-7-ol;hydrobromide
CID 131732536
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine?
The IUPAC name of 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine (CID 105456601) is 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine.
What is the SMILES notation for 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine?
The canonical SMILES for 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine is Nc1ccc2c(c1)OCC(NC1CC1)C2.
What is the InChIKey of 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine?
The InChIKey is FTXAGDUBGCDNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-9-2-1-8-5-11(14-10-3-4-10)7-15-12(8)6-9/h1-2,6,10-11,14H,3-5,7,13H2.
What are the key properties of 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine?
3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine has a molecular weight of 204.27 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine is sourced from PubChem (CID 105456601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).