2-decyl-2-ethylpropane-1,3-diamine

C15H34N2 — CID 102189049

IUPAC2-decyl-2-ethylpropane-1,3-diamine
SMILESCCCCCCCCCCC(CC)(CN)CN
InChIInChI=1S/C15H34N2/c1-3-5-6-7-8-9-10-11-12-15(4-2,13-16)14-17/h3-14,16-17H2,1-2H3
InChIKeyGJZCWCPWXOBVGO-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.83
Rot. Bonds12

About 2-decyl-2-ethylpropane-1,3-diamine

2-decyl-2-ethylpropane-1,3-diamine (PubChem CID 102189049) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-decyl-2-ethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-decyl-2-ethylpropane-1,3-diamine
PubChem CID102189049
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-decyl-2-ethylpropane-1,3-diamine
SMILESCCCCCCCCCCC(CC)(CN)CN
InChIInChI=1S/C15H34N2/c1-3-5-6-7-8-9-10-11-12-15(4-2,13-16)14-17/h3-14,16-17H2,1-2H3
InChIKeyGJZCWCPWXOBVGO-UHFFFAOYSA-N
XLogP3.83
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethyldodecan-1-amine
CID 55195465
2-(aminomethyl)-2-octylpropane-1,3-diamine
CID 13067190
2-(aminomethyl)-2-tetradecylpropane-1,3-diol
CID 139977748
2-butyl-2-ethylhexan-1-amine
CID 62725100
7-butyl-7-ethyltetradecane
CID 174665936
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
2-(aminomethyl)-2-[(Z)-heptadec-8-enyl]propane-1,3-diamine
CID 87409752
4,4-dipentylnonan-1-amine
CID 88632324
10,10-dibutylicosane
CID 151498539

Frequently Asked Questions

What is the IUPAC name of 2-decyl-2-ethylpropane-1,3-diamine?
The IUPAC name of 2-decyl-2-ethylpropane-1,3-diamine (CID 102189049) is 2-decyl-2-ethylpropane-1,3-diamine.
What is the SMILES notation for 2-decyl-2-ethylpropane-1,3-diamine?
The canonical SMILES for 2-decyl-2-ethylpropane-1,3-diamine is CCCCCCCCCCC(CC)(CN)CN.
What is the InChIKey of 2-decyl-2-ethylpropane-1,3-diamine?
The InChIKey is GJZCWCPWXOBVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-3-5-6-7-8-9-10-11-12-15(4-2,13-16)14-17/h3-14,16-17H2,1-2H3.
What are the key properties of 2-decyl-2-ethylpropane-1,3-diamine?
2-decyl-2-ethylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.83, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2-ethylpropane-1,3-diamine is sourced from PubChem (CID 102189049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).