5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine

C19H31NO — CID 104771905

IUPAC5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)CC1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-5-11-20-15(2)13-19(3,4)14-16-10-12-21-18-9-7-6-8-17(16)18/h6-9,15-16,20H,5,10-14H2,1-4H3
InChIKeyCVZFXOWSQVDSJV-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.75
Rot. Bonds7

About 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine

5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine (PubChem CID 104771905) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
PubChem CID104771905
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
SMILESCCCNC(C)CC(C)(C)CC1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-5-11-20-15(2)13-19(3,4)14-16-10-12-21-18-9-7-6-8-17(16)18/h6-9,15-16,20H,5,10-14H2,1-4H3
InChIKeyCVZFXOWSQVDSJV-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-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

5-(2,3-dihydro-1-benzofuran-3-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 79229851
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
5-(2,3-dihydro-1-benzofuran-2-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 66364834
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 104770351
1-(3,4-dihydro-2H-chromen-4-yl)-3-methoxy-N-propylpentan-2-amine
CID 116715910
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
1-(3,4-dihydro-2H-chromen-4-yl)-3-(ethylamino)-2-methylpropan-2-ol
CID 113451561
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 104769283
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine (CID 104771905) is 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine is CCCNC(C)CC(C)(C)CC1CCOc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine?
The InChIKey is CVZFXOWSQVDSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-5-11-20-15(2)13-19(3,4)14-16-10-12-21-18-9-7-6-8-17(16)18/h6-9,15-16,20H,5,10-14H2,1-4H3.
What are the key properties of 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine?
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine is sourced from PubChem (CID 104771905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).