N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine

C15H24N2O — CID 115195630

IUPACN'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H24N2O/c1-15(2,11-17-8-7-16)13-5-6-14-12(10-13)4-3-9-18-14/h5-6,10,17H,3-4,7-9,11,16H2,1-2H3
InChIKeyGOANVPYKIPESMG-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.84
Rot. Bonds5

About N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine

N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine (PubChem CID 115195630) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
PubChem CID115195630
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine
SMILESCC(C)(CNCCN)c1ccc2c(c1)CCCO2
InChIInChI=1S/C15H24N2O/c1-15(2,11-17-8-7-16)13-5-6-14-12(10-13)4-3-9-18-14/h5-6,10,17H,3-4,7-9,11,16H2,1-2H3
InChIKeyGOANVPYKIPESMG-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]-N-methylmethanediamine
CID 115227515
[[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]amino]methanol
CID 115229672
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]amino]ethanethiol
CID 115224523
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
1-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136364
N-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]acetamide
CID 115191462
N-tert-butyl-3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-amine
CID 79830139
N'-[2-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propane-1,3-diamine
CID 115197541
3-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830322
3-(3,4-dihydro-2H-chromen-6-yl)-3-methylbutan-1-ol
CID 79838589
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
4-(3,4-dihydro-2H-chromen-6-yl)-4,4-dimethoxybutan-1-amine
CID 98017830

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine (CID 115195630) is N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine is CC(C)(CNCCN)c1ccc2c(c1)CCCO2.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine?
The InChIKey is GOANVPYKIPESMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-15(2,11-17-8-7-16)13-5-6-14-12(10-13)4-3-9-18-14/h5-6,10,17H,3-4,7-9,11,16H2,1-2H3.
What are the key properties of N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine?
N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine has a molecular weight of 248.37 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropyl]ethane-1,2-diamine is sourced from PubChem (CID 115195630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).