N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine

C15H19NO — CID 103903513

IUPACN-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
SMILESC1=CC(NC2CCOc3ccccc32)CCC1
InChIInChI=1S/C15H19NO/c1-2-6-12(7-3-1)16-14-10-11-17-15-9-5-4-8-13(14)15/h2,4-6,8-9,12,14,16H,1,3,7,10-11H2
InChIKeyJFZLMMXZQHLOTJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.21
Rot. Bonds2

About N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine

N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 103903513) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID103903513
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC NameN-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
SMILESC1=CC(NC2CCOc3ccccc32)CCC1
InChIInChI=1S/C15H19NO/c1-2-6-12(7-3-1)16-14-10-11-17-15-9-5-4-8-13(14)15/h2,4-6,8-9,12,14,16H,1,3,7,10-11H2
InChIKeyJFZLMMXZQHLOTJ-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
ethane;N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 143399161
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79101117
2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
CID 62743006
3-(3,4-dihydro-2H-chromen-4-ylamino)piperidin-2-one
CID 55033102
2-[(1R)-cyclopent-2-en-1-yl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 9159559

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine (CID 103903513) is N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine is C1=CC(NC2CCOc3ccccc32)CCC1.
What is the InChIKey of N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is JFZLMMXZQHLOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-6-12(7-3-1)16-14-10-11-17-15-9-5-4-8-13(14)15/h2,4-6,8-9,12,14,16H,1,3,7,10-11H2.
What are the key properties of N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine?
N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 229.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 103903513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).