N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

C18H29NO — CID 82461406

IUPACN-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C18H29NO/c1-4-5-6-7-12-19-17-11-13-20-18-15(14(2)3)9-8-10-16(17)18/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyUGYBCVKJEPAKAN-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.80
Rot. Bonds7

About N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine

N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 82461406) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound NameN-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
PubChem CID82461406
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
SMILESCCCCCCNC1CCOc2c(C(C)C)cccc21
InChIInChI=1S/C18H29NO/c1-4-5-6-7-12-19-17-11-13-20-18-15(14(2)3)9-8-10-16(17)18/h8-10,14,17,19H,4-7,11-13H2,1-3H3
InChIKeyUGYBCVKJEPAKAN-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine (CID 82461406) is N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is CCCCCCNC1CCOc2c(C(C)C)cccc21.
What is the InChIKey of N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UGYBCVKJEPAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-5-6-7-12-19-17-11-13-20-18-15(14(2)3)9-8-10-16(17)18/h8-10,14,17,19H,4-7,11-13H2,1-3H3.
What are the key properties of N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine?
N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 275.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-8-propan-2-yl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 82461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).