1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine

C9H20N2O — CID 169160448

IUPAC1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NCCOCC)NC(C)C
InChIInChI=1S/C9H20N2O/c1-5-12-7-6-10-9(4)11-8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyXJNMLWVINHTKAH-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.08
Rot. Bonds7

About 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine

1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine (PubChem CID 169160448) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
PubChem CID169160448
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine
SMILESC=C(NCCOCC)NC(C)C
InChIInChI=1S/C9H20N2O/c1-5-12-7-6-10-9(4)11-8(2)3/h8,10-11H,4-7H2,1-3H3
InChIKeyXJNMLWVINHTKAH-UHFFFAOYSA-N
XLogP1.08
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-propan-2-ylprop-1-en-2-amine
CID 143768351
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]propanamide
CID 122664379
1-butan-2-yl-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 110946213
1-(3-ethoxypropyl)-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111125195
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
1-(2-ethoxyethyl)-3-(3-hydroxybutyl)urea
CID 111337128
3-[2-ethoxyethylcarbamoyl(ethyl)amino]butanoic acid
CID 55122563
1-(2-ethoxyethylamino)propan-2-ol
CID 43393547
N-(4-ethoxybut-1-en-2-yl)-3-methylpentan-1-amine
CID 170597699
N-(3-ethoxypropyl)-2-methoxypropanamide
CID 115588519
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-ylurea
CID 176960300

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The IUPAC name of 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine (CID 169160448) is 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine.
What is the SMILES notation for 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The canonical SMILES for 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine is C=C(NCCOCC)NC(C)C.
What is the InChIKey of 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine?
The InChIKey is XJNMLWVINHTKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-5-12-7-6-10-9(4)11-8(2)3/h8,10-11H,4-7H2,1-3H3.
What are the key properties of 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine?
1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine has a molecular weight of 172.27 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxyethyl)-1-N'-propan-2-ylethene-1,1-diamine is sourced from PubChem (CID 169160448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).