N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine

C17H30N2O — CID 54807395

IUPACN'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
SMILESCCCCCCCNCCNc1ccccc1OCC
InChIInChI=1S/C17H30N2O/c1-3-5-6-7-10-13-18-14-15-19-16-11-8-9-12-17(16)20-4-2/h8-9,11-12,18-19H,3-7,10,13-15H2,1-2H3
InChIKeyADXOMPXYQJKTKF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.06
Rot. Bonds12

About N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine

N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine (PubChem CID 54807395) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
PubChem CID54807395
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine
SMILESCCCCCCCNCCNc1ccccc1OCC
InChIInChI=1S/C17H30N2O/c1-3-5-6-7-10-13-18-14-15-19-16-11-8-9-12-17(16)20-4-2/h8-9,11-12,18-19H,3-7,10,13-15H2,1-2H3
InChIKeyADXOMPXYQJKTKF-UHFFFAOYSA-N
XLogP4.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.06
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

2-ethoxy-N-nonylaniline
CID 43129179
N'-(2-butoxyphenyl)-N-ethylethane-1,2-diamine
CID 54808133
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CID 62572725
2-(2-ethoxyethoxy)-N-hexylaniline
CID 54801767
N-[(2-ethoxyphenyl)methyl]hexan-1-amine
CID 4716807
2-ethoxy-N-[4-(2-methylphenoxy)butyl]aniline
CID 82096107
2-ethoxy-N-(2-fluoroethyl)aniline
CID 80699443
4-(2-ethoxyanilino)-2-methylbutan-2-ol
CID 79359575
1-dodecyl-3-(2-ethoxyphenyl)thiourea
CID 19651397
1-(2-ethoxyphenyl)-2-(hexylamino)ethanone
CID 82102192
N'-(2-butoxyphenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54808512
1-decyl-3-(2-ethoxyphenyl)thiourea
CID 19651220

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine (CID 54807395) is N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine is CCCCCCCNCCNc1ccccc1OCC.
What is the InChIKey of N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine?
The InChIKey is ADXOMPXYQJKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-5-6-7-10-13-18-14-15-19-16-11-8-9-12-17(16)20-4-2/h8-9,11-12,18-19H,3-7,10,13-15H2,1-2H3.
What are the key properties of N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine?
N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.06, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyphenyl)-N-heptylethane-1,2-diamine is sourced from PubChem (CID 54807395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).