N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine

C15H21NO — CID 113320280

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-11-8-13(9-11)16-10-12-6-7-17-15-5-3-2-4-14(12)15/h2-5,11-13,16H,6-10H2,1H3
InChIKeyNCEVDKZXISPKAL-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.94
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine (PubChem CID 113320280) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
PubChem CID113320280
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NCC2CCOc3ccccc32)C1
InChIInChI=1S/C15H21NO/c1-11-8-13(9-11)16-10-12-6-7-17-15-5-3-2-4-14(12)15/h2-5,11-13,16H,6-10H2,1H3
InChIKeyNCEVDKZXISPKAL-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine 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

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 104768322
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-ethylcyclohexan-1-amine
CID 115653655
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1-methylsulfonylpiperidin-4-amine
CID 75428071
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 104768402
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-ethylbutan-1-amine
CID 115756745
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dimethylhydrazine
CID 104768421
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 104768239
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,1-dioxothian-3-amine
CID 115756883
N-(3,5-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 64752350
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 115757137
N-(3,4-dihydro-2H-chromen-4-ylmethyl)acetamide
CID 110709223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine (CID 113320280) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine is CC1CC(NCC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine?
The InChIKey is NCEVDKZXISPKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11-8-13(9-11)16-10-12-6-7-17-15-5-3-2-4-14(12)15/h2-5,11-13,16H,6-10H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 113320280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).