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

C19H29NO — CID 104771883

IUPAC1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(16-10-11-16)8-5-6-15-12-14-21-19-9-4-3-7-17(15)19/h3-4,7,9,15-16,18,20H,2,5-6,8,10-14H2,1H3
InChIKeyMKELBZWGELTKRY-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.50
Rot. Bonds8

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

1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine (PubChem CID 104771883) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
PubChem CID104771883
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCCC1CCOc2ccccc21)C1CC1
InChIInChI=1S/C19H29NO/c1-2-13-20-18(16-10-11-16)8-5-6-15-12-14-21-19-9-4-3-7-17(15)19/h3-4,7,9,15-16,18,20H,2,5-6,8,10-14H2,1H3
InChIKeyMKELBZWGELTKRY-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-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-cyclopropyl-4-(2,3-dihydro-1-benzofuran-3-yl)-N-ethylbutan-1-amine
CID 79230011
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylheptan-1-amine
CID 65409887
1-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-2-amine
CID 113451314
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
CID 104771921
1-(3,4-dihydro-2H-chromen-4-yl)-3-ethyl-N-propylpentan-2-amine
CID 105034374
4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888
4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
1-cyclobutyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770384
1-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-1-amine
CID 65409497
1-cyclohexyl-2-(3,4-dihydro-2H-chromen-4-yl)-N-ethylethanamine
CID 104770185
5-(3,4-dihydro-2H-chromen-4-yl)-4,4-dimethyl-N-propylpentan-2-amine
CID 104771905
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethylpentan-2-amine
CID 104770187

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine?
The IUPAC name of 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine (CID 104771883) is 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine is CCCNC(CCCC1CCOc2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine?
The InChIKey is MKELBZWGELTKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-2-13-20-18(16-10-11-16)8-5-6-15-12-14-21-19-9-4-3-7-17(15)19/h3-4,7,9,15-16,18,20H,2,5-6,8,10-14H2,1H3.
What are the key properties of 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine?
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 104771883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).