1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile

C16H20N2O — CID 116958684

IUPAC1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2c(c1)CCCO2)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O/c1-18-15(16(11-17)7-3-8-16)13-5-6-14-12(10-13)4-2-9-19-14/h5-6,10,15,18H,2-4,7-9H2,1H3
InChIKeyMSFRWDDXALHKGE-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.97
Rot. Bonds3

About 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile

1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 116958684) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID116958684
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
SMILESCNC(c1ccc2c(c1)CCCO2)C1(C#N)CCC1
InChIInChI=1S/C16H20N2O/c1-18-15(16(11-17)7-3-8-16)13-5-6-14-12(10-13)4-2-9-19-14/h5-6,10,15,18H,2-4,7-9H2,1H3
InChIKeyMSFRWDDXALHKGE-UHFFFAOYSA-N
XLogP2.97
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile 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

1-[2,3-dihydro-1,4-benzodioxin-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile
CID 116958640
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclopropan-1-amine
CID 116961239
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclopropane-1-carbonitrile
CID 116942980
1-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclohexyl)-N-methylmethanamine
CID 116763076
1-[methylamino(phenyl)methyl]cyclobutane-1-carbonitrile
CID 116958624
1-(3,4-dihydro-2H-chromen-6-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 61027887
1-(3,4-dihydro-2H-chromen-6-yl)-N,N'-dimethylpropane-1,3-diamine
CID 116948587
1-(3,5-dibromophenyl)-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylmethanamine
CID 107979805
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
1-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 61032925
3-amino-3-(3,4-dihydro-2H-chromen-6-yl)propanenitrile
CID 116851252
1-[amino(3,4-dihydro-2H-chromen-6-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944092

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile (CID 116958684) is 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile is CNC(c1ccc2c(c1)CCCO2)C1(C#N)CCC1.
What is the InChIKey of 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is MSFRWDDXALHKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18-15(16(11-17)7-3-8-16)13-5-6-14-12(10-13)4-2-9-19-14/h5-6,10,15,18H,2-4,7-9H2,1H3.
What are the key properties of 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile?
1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-dihydro-2H-chromen-6-yl(methylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116958684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).