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

C12H16N2O — CID 105456603

IUPAC4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1)OCCC2NC1CC1
InChIInChI=1S/C12H16N2O/c13-8-1-4-10-11(14-9-2-3-9)5-6-15-12(10)7-8/h1,4,7,9,11,14H,2-3,5-6,13H2
InChIKeySTNHDEHPILUAQS-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.84
Rot. Bonds2

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

4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 105456603) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID105456603
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1ccc2c(c1)OCCC2NC1CC1
InChIInChI=1S/C12H16N2O/c13-8-1-4-10-11(14-9-2-3-9)5-6-15-12(10)7-8/h1,4,7,9,11,14H,2-3,5-6,13H2
InChIKeySTNHDEHPILUAQS-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopentyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105491701
7-methoxy-N-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 75422627
4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 105473038
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-cyclopropyl-7-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43591568
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
1-N-(3,4-dihydro-2H-chromen-4-yl)-2-methylbenzene-1,4-diamine
CID 62364894
N-cyclopropyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
CID 43512490
3-N-cyclopropyl-3,4-dihydro-2H-chromene-3,7-diamine
CID 105456601
N-(3,4-dihydro-2H-chromen-4-yl)-1-methylsulfonylpiperidin-4-amine
CID 43628795
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine (CID 105456603) is 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine is Nc1ccc2c(c1)OCCC2NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is STNHDEHPILUAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-8-1-4-10-11(14-9-2-3-9)5-6-15-12(10)7-8/h1,4,7,9,11,14H,2-3,5-6,13H2.
What are the key properties of 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine?
4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 204.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 105456603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).