1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine

C19H42N2 — CID 23135069

IUPAC1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(N)CC
InChIInChI=1S/C19H42N2/c1-6-11-13-17(8-3)15-21(19(20)10-5)16-18(9-4)14-12-7-2/h17-19H,6-16,20H2,1-5H3
InChIKeyZLXYJNYZIZNQKW-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.42
Rot. Bonds14

About 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine

1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine (PubChem CID 23135069) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine.

Molecular Properties

Compound Name1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
PubChem CID23135069
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(N)CC
InChIInChI=1S/C19H42N2/c1-6-11-13-17(8-3)15-21(19(20)10-5)16-18(9-4)14-12-7-2/h17-19H,6-16,20H2,1-5H3
InChIKeyZLXYJNYZIZNQKW-UHFFFAOYSA-N
XLogP5.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-(2-ethylhexyl)-N-heptan-3-ylhexan-1-amine
CID 170537476
1,1,2,2-tetrakis(2-ethylhexyl)hydrazine
CID 123650144
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
2-[2-ethylhexyl(pentan-3-yl)amino]ethanol
CID 55191905
(2S)-2-ethylhexan-1-amine
CID 6999997
N-(2-chloroethyl)-N,2-diethylhexan-1-amine
CID 63386988
2-ethylhexan-1-amine;hydrate
CID 173045208
2-ethylhexan-1-amine;dihydrochloride
CID 142641821
4-ethyl-2-hydrazinyl-N,N-dimethyloctan-1-amine
CID 105244694
5-ethylnonane;5-propylnonane
CID 157441807

Frequently Asked Questions

What is the IUPAC name of 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine?
The IUPAC name of 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine (CID 23135069) is 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine.
What is the SMILES notation for 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine?
The canonical SMILES for 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine is CCCCC(CC)CN(CC(CC)CCCC)C(N)CC.
What is the InChIKey of 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine?
The InChIKey is ZLXYJNYZIZNQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-6-11-13-17(8-3)15-21(19(20)10-5)16-18(9-4)14-12-7-2/h17-19H,6-16,20H2,1-5H3.
What are the key properties of 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine?
1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.42, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',1-N'-bis(2-ethylhexyl)propane-1,1-diamine is sourced from PubChem (CID 23135069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).