N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine

C12H17NO — CID 163900998

IUPACN-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine
SMILESC=CN(C)C1=CC2=C(CCCO2)CC1
InChIInChI=1S/C12H17NO/c1-3-13(2)11-7-6-10-5-4-8-14-12(10)9-11/h3,9H,1,4-8H2,2H3
InChIKeyQJVVCACIAFFDFX-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.80
Rot. Bonds2

About N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine

N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine (PubChem CID 163900998) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine.

Molecular Properties

Compound NameN-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine
PubChem CID163900998
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine
SMILESC=CN(C)C1=CC2=C(CCCO2)CC1
InChIInChI=1S/C12H17NO/c1-3-13(2)11-7-6-10-5-4-8-14-12(10)9-11/h3,9H,1,4-8H2,2H3
InChIKeyQJVVCACIAFFDFX-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine?
The IUPAC name of N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine (CID 163900998) is N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine.
What is the SMILES notation for N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine?
The canonical SMILES for N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine is C=CN(C)C1=CC2=C(CCCO2)CC1.
What is the InChIKey of N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine?
The InChIKey is QJVVCACIAFFDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-13(2)11-7-6-10-5-4-8-14-12(10)9-11/h3,9H,1,4-8H2,2H3.
What are the key properties of N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine?
N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine has a molecular weight of 191.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-methyl-3,4,5,6-tetrahydro-2H-chromen-7-amine is sourced from PubChem (CID 163900998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).