3-N-(2-ethylhexyl)propane-1,1,3-triamine

C11H27N3 — CID 142717096

IUPAC3-N-(2-ethylhexyl)propane-1,1,3-triamine
SMILESCCCCC(CC)CNCCC(N)N
InChIInChI=1S/C11H27N3/c1-3-5-6-10(4-2)9-14-8-7-11(12)13/h10-11,14H,3-9,12-13H2,1-2H3
InChIKeyDYMOZUWESDFBKU-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.43
Rot. Bonds9

About 3-N-(2-ethylhexyl)propane-1,1,3-triamine

3-N-(2-ethylhexyl)propane-1,1,3-triamine (PubChem CID 142717096) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is 3-N-(2-ethylhexyl)propane-1,1,3-triamine.

Molecular Properties

Compound Name3-N-(2-ethylhexyl)propane-1,1,3-triamine
PubChem CID142717096
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC Name3-N-(2-ethylhexyl)propane-1,1,3-triamine
SMILESCCCCC(CC)CNCCC(N)N
InChIInChI=1S/C11H27N3/c1-3-5-6-10(4-2)9-14-8-7-11(12)13/h10-11,14H,3-9,12-13H2,1-2H3
InChIKeyDYMOZUWESDFBKU-UHFFFAOYSA-N
XLogP1.43
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-pentylhexan-1-amine
CID 43081963
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N,2-diethylhexan-1-amine
CID 14272988
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
CID 107815808
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
2-amino-3-(2-ethylhexylamino)propanoic acid
CID 107816719
N-[2-(2-ethylhexylamino)ethyl]acetamide
CID 60683101

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylhexyl)propane-1,1,3-triamine?
The IUPAC name of 3-N-(2-ethylhexyl)propane-1,1,3-triamine (CID 142717096) is 3-N-(2-ethylhexyl)propane-1,1,3-triamine.
What is the SMILES notation for 3-N-(2-ethylhexyl)propane-1,1,3-triamine?
The canonical SMILES for 3-N-(2-ethylhexyl)propane-1,1,3-triamine is CCCCC(CC)CNCCC(N)N.
What is the InChIKey of 3-N-(2-ethylhexyl)propane-1,1,3-triamine?
The InChIKey is DYMOZUWESDFBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-3-5-6-10(4-2)9-14-8-7-11(12)13/h10-11,14H,3-9,12-13H2,1-2H3.
What are the key properties of 3-N-(2-ethylhexyl)propane-1,1,3-triamine?
3-N-(2-ethylhexyl)propane-1,1,3-triamine has a molecular weight of 201.36 g/mol, XLogP of 1.43, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylhexyl)propane-1,1,3-triamine is sourced from PubChem (CID 142717096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).