3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide

C14H31N3O — CID 63286211

IUPAC3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC(CC)CCCC
InChIInChI=1S/C14H31N3O/c1-4-6-7-13(5-2)12-17(10-11-18-3)9-8-14(15)16/h13H,4-12H2,1-3H3,(H3,15,16)
InChIKeyKUHQGWZRETZIFH-UHFFFAOYSA-N
MW257.42 g/mol
LogP2.48
Rot. Bonds12

About 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide

3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide (PubChem CID 63286211) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide
PubChem CID63286211
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(CCOC)CC(CC)CCCC
InChIInChI=1S/C14H31N3O/c1-4-6-7-13(5-2)12-17(10-11-18-3)9-8-14(15)16/h13H,4-12H2,1-3H3,(H3,15,16)
InChIKeyKUHQGWZRETZIFH-UHFFFAOYSA-N
XLogP2.48
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

butyl 3-[butyl(2-ethylhexyl)amino]propanoate
CID 87784711
(2S)-N,N-dibutyl-2-ethylhexan-1-amine
CID 40541425
butyl 3-[dodecyl(2-ethylhexyl)amino]propanoate
CID 87784865
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
dipotassium;3-[2-carboxylatoethyl(2-ethylhexyl)amino]propanoate
CID 142284997
3-[2-ethylhexyl(2-methylpropyl)amino]-N'-hydroxypropanimidamide
CID 76917559
2-ethyl-N,N-bis(2-ethylhexyl)hexan-1-amine;hydrochloride
CID 23468552
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[butyl(methyl)amino]propanimidamide
CID 24696065
3-(diethylamino)propanimidamide;hydrochloride
CID 82021474
3-(diethylamino)propanimidamide;dihydrochloride
CID 42614718
N-dimethoxysilyl-2-ethyl-N-(2-ethylhexyl)hexan-1-amine
CID 131722118

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide?
The IUPAC name of 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide (CID 63286211) is 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide.
What is the SMILES notation for 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide?
The canonical SMILES for 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide is [H]/N=C(\N)CCN(CCOC)CC(CC)CCCC.
What is the InChIKey of 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide?
The InChIKey is KUHQGWZRETZIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-4-6-7-13(5-2)12-17(10-11-18-3)9-8-14(15)16/h13H,4-12H2,1-3H3,(H3,15,16).
What are the key properties of 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide?
3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide has a molecular weight of 257.42 g/mol, XLogP of 2.48, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethylhexyl(2-methoxyethyl)amino]propanimidamide is sourced from PubChem (CID 63286211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).