2,2-diethyl-N'-octylpropane-1,3-diamine

C15H34N2 — CID 115568699

IUPAC2,2-diethyl-N'-octylpropane-1,3-diamine
SMILESCCCCCCCCNCC(CC)(CC)CN
InChIInChI=1S/C15H34N2/c1-4-7-8-9-10-11-12-17-14-15(5-2,6-3)13-16/h17H,4-14,16H2,1-3H3
InChIKeyJXCYUZUKKYVVDH-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.70
Rot. Bonds12

About 2,2-diethyl-N'-octylpropane-1,3-diamine

2,2-diethyl-N'-octylpropane-1,3-diamine (PubChem CID 115568699) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2,2-diethyl-N'-octylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-diethyl-N'-octylpropane-1,3-diamine
PubChem CID115568699
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2,2-diethyl-N'-octylpropane-1,3-diamine
SMILESCCCCCCCCNCC(CC)(CC)CN
InChIInChI=1S/C15H34N2/c1-4-7-8-9-10-11-12-17-14-15(5-2,6-3)13-16/h17H,4-14,16H2,1-3H3
InChIKeyJXCYUZUKKYVVDH-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 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 ≤ 53.70
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-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-(chloromethyl)-2-ethyl-N-heptylbutan-1-amine
CID 106252175
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
N'-henicosylethane-1,2-diamine
CID 22930907
N'-docosylethane-1,2-diamine
CID 18783196
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N-hexylhexan-1-amine;methanamine
CID 22649908

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N'-octylpropane-1,3-diamine?
The IUPAC name of 2,2-diethyl-N'-octylpropane-1,3-diamine (CID 115568699) is 2,2-diethyl-N'-octylpropane-1,3-diamine.
What is the SMILES notation for 2,2-diethyl-N'-octylpropane-1,3-diamine?
The canonical SMILES for 2,2-diethyl-N'-octylpropane-1,3-diamine is CCCCCCCCNCC(CC)(CC)CN.
What is the InChIKey of 2,2-diethyl-N'-octylpropane-1,3-diamine?
The InChIKey is JXCYUZUKKYVVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-4-7-8-9-10-11-12-17-14-15(5-2,6-3)13-16/h17H,4-14,16H2,1-3H3.
What are the key properties of 2,2-diethyl-N'-octylpropane-1,3-diamine?
2,2-diethyl-N'-octylpropane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.70, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N'-octylpropane-1,3-diamine is sourced from PubChem (CID 115568699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).