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

C19H31NO — CID 65409887

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-14-4-2)16-13-15-21-19-12-9-8-10-17(16)19/h8-10,12,16,18,20H,3-7,11,13-15H2,1-2H3
InChIKeyRJOUZLWULWMDDW-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.89
Rot. Bonds9

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

1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine (PubChem CID 65409887) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
PubChem CID65409887
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
SMILESCCCCCCC(NCCC)C1CCOc2ccccc21
InChIInChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-14-4-2)16-13-15-21-19-12-9-8-10-17(16)19/h8-10,12,16,18,20H,3-7,11,13-15H2,1-2H3
InChIKeyRJOUZLWULWMDDW-UHFFFAOYSA-N
XLogP4.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

1-(3,4-dihydro-2H-chromen-4-yl)octylhydrazine
CID 105233759
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83178375
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
N-[1-(3,4-dihydro-2H-chromen-4-yl)-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 79826943
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 65410083
N-[3,4-dihydro-2H-chromen-4-yl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647609
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 55188345
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-3-yl)-N-propylheptan-1-amine
CID 65411679
[1-(3,4-dihydro-2H-chromen-4-yl)-4-methoxybutyl]hydrazine
CID 105233846
N-[3,4-dihydro-2H-chromen-4-yl(oxan-3-yl)methyl]propan-1-amine
CID 107136469

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine (CID 65409887) is 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine is CCCCCCC(NCCC)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine?
The InChIKey is RJOUZLWULWMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-3-5-6-7-11-18(20-14-4-2)16-13-15-21-19-12-9-8-10-17(16)19/h8-10,12,16,18,20H,3-7,11,13-15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine?
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.89, 9 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-4-yl)-N-propylheptan-1-amine is sourced from PubChem (CID 65409887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).