1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine

C17H27NO — CID 114746942

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1cccc2c1OCCC2)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-17(2,3)15(18-4)11-10-14-8-5-7-13-9-6-12-19-16(13)14/h5,7-8,15,18H,6,9-12H2,1-4H3
InChIKeyXZRUUBIFFBXRNG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds4

About 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine

1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine (PubChem CID 114746942) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
PubChem CID114746942
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine
SMILESCNC(CCc1cccc2c1OCCC2)C(C)(C)C
InChIInChI=1S/C17H27NO/c1-17(2,3)15(18-4)11-10-14-8-5-7-13-9-6-12-19-16(13)14/h5,7-8,15,18H,6,9-12H2,1-4H3
InChIKeyXZRUUBIFFBXRNG-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-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

1-(3,4-dihydro-2H-chromen-8-yl)pentan-3-amine
CID 114746879
8-(2-methylpropyl)-3,4-dihydro-2H-chromene
CID 160635539
4-(3,4-dihydro-2H-chromen-8-yl)-N-propylbutan-2-amine
CID 114746902
7-(3-chloro-4,4-dimethylpentyl)-2,3-dihydro-1-benzofuran
CID 114747050
1-(3,4-dihydro-2H-chromen-8-yl)-N,2,2-trimethylpropan-1-amine
CID 114745059
7-(3-bromo-4-methylpentyl)-2,3-dihydro-1-benzofuran
CID 114747068
(2R)-4-(2,3-dihydro-1-benzofuran-7-yl)butan-2-amine
CID 131577312
2-(2,3,4,5-tetrahydro-1-benzoxepin-9-yl)ethanamine
CID 83829835
N-[2-(2,3-dihydro-1-benzofuran-7-yl)ethyl]propan-2-amine
CID 114746763
1-(3,4-dihydro-2H-chromen-8-yl)-N-methylbutan-1-amine
CID 114745045
8-(3-bromo-2-methylpropyl)-3,4-dihydro-2H-chromene
CID 114747076
1-(3,4-dihydro-2H-chromen-8-yl)hexan-3-one
CID 114746846

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine (CID 114746942) is 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine is CNC(CCc1cccc2c1OCCC2)C(C)(C)C.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine?
The InChIKey is XZRUUBIFFBXRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,3)15(18-4)11-10-14-8-5-7-13-9-6-12-19-16(13)14/h5,7-8,15,18H,6,9-12H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine?
1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine has a molecular weight of 261.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-N,4,4-trimethylpentan-3-amine is sourced from PubChem (CID 114746942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).