N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine

C15H24N2O — CID 113451131

IUPACN'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)CC1CCOc2ccccc21
InChIInChI=1S/C15H24N2O/c1-2-9-17(10-8-16)12-13-7-11-18-15-6-4-3-5-14(13)15/h3-6,13H,2,7-12,16H2,1H3
InChIKeyANZREWGEQXQGLQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.22
Rot. Bonds6

About N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine

N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine (PubChem CID 113451131) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
PubChem CID113451131
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)CC1CCOc2ccccc21
InChIInChI=1S/C15H24N2O/c1-2-9-17(10-8-16)12-13-7-11-18-15-6-4-3-5-14(13)15/h3-6,13H,2,7-12,16H2,1H3
InChIKeyANZREWGEQXQGLQ-UHFFFAOYSA-N
XLogP2.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine 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

N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)propan-1-amine
CID 113451450
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
N'-cyclohexyl-N'-(3,4-dihydro-2H-chromen-4-ylmethyl)ethane-1,2-diamine
CID 104771493
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
ethyl 2-[3,4-dihydro-2H-chromen-4-ylmethyl(ethyl)amino]acetate
CID 115882041
N-(2-bromoethyl)-N-(3,4-dihydro-2H-chromen-4-ylmethyl)cyclopropanamine
CID 104771418
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
CID 113451391
(4R)-4-(iodomethyl)-3,4-dihydro-2H-chromene
CID 92908096

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine (CID 113451131) is N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine is CCCN(CCN)CC1CCOc2ccccc21.
What is the InChIKey of N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine?
The InChIKey is ANZREWGEQXQGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-9-17(10-8-16)12-13-7-11-18-15-6-4-3-5-14(13)15/h3-6,13H,2,7-12,16H2,1H3.
What are the key properties of N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine?
N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dihydro-2H-chromen-4-ylmethyl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 113451131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).