4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine

C13H18N2O — CID 105473038

IUPAC4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine
SMILESNc1cccc2c1C(NC1CCC1)CCO2
InChIInChI=1S/C13H18N2O/c14-10-5-2-6-12-13(10)11(7-8-16-12)15-9-3-1-4-9/h2,5-6,9,11,15H,1,3-4,7-8,14H2
InChIKeyBXXCDQISLLAIBB-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.23
Rot. Bonds2

About 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine

4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine (PubChem CID 105473038) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine.

Molecular Properties

Compound Name4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine
PubChem CID105473038
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine
SMILESNc1cccc2c1C(NC1CCC1)CCO2
InChIInChI=1S/C13H18N2O/c14-10-5-2-6-12-13(10)11(7-8-16-12)15-9-3-1-4-9/h2,5-6,9,11,15H,1,3-4,7-8,14H2
InChIKeyBXXCDQISLLAIBB-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.23
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
1-N-cyclopentyl-2,3-dihydro-1H-indene-1,7-diamine
CID 105470478
4-N-cyclopropyl-3,4-dihydro-2H-chromene-4,7-diamine
CID 105456603
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
methyl 5-amino-3,4-dihydro-2H-chromene-4-carboxylate
CID 105460150
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
2-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbenzene-1,2-diamine
CID 115550430
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
3-(cyclobutylamino)-2,3-dihydro-1-benzofuran-6-ol
CID 62416499

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine?
The IUPAC name of 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine (CID 105473038) is 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine.
What is the SMILES notation for 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine?
The canonical SMILES for 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine is Nc1cccc2c1C(NC1CCC1)CCO2.
What is the InChIKey of 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine?
The InChIKey is BXXCDQISLLAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c14-10-5-2-6-12-13(10)11(7-8-16-12)15-9-3-1-4-9/h2,5-6,9,11,15H,1,3-4,7-8,14H2.
What are the key properties of 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine?
4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine has a molecular weight of 218.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclobutyl-3,4-dihydro-2H-chromene-4,5-diamine is sourced from PubChem (CID 105473038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).