1-N-(3-ethoxypropyl)propane-1,2-diamine

C8H20N2O — CID 62568793

IUPAC1-N-(3-ethoxypropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N
InChIInChI=1S/C8H20N2O/c1-3-11-6-4-5-10-7-8(2)9/h8,10H,3-7,9H2,1-2H3
InChIKeyFGTIXBTYRLGHCI-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.35
Rot. Bonds7

About 1-N-(3-ethoxypropyl)propane-1,2-diamine

1-N-(3-ethoxypropyl)propane-1,2-diamine (PubChem CID 62568793) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-N-(3-ethoxypropyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-ethoxypropyl)propane-1,2-diamine
PubChem CID62568793
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1-N-(3-ethoxypropyl)propane-1,2-diamine
SMILESCCOCCCNCC(C)N
InChIInChI=1S/C8H20N2O/c1-3-11-6-4-5-10-7-8(2)9/h8,10H,3-7,9H2,1-2H3
InChIKeyFGTIXBTYRLGHCI-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.35
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

N-(3-ethoxypropyl)-2,3-dimethylbutan-1-amine
CID 65175065
N-(3-ethoxypropyl)-2-methoxypropan-1-amine
CID 62565576
1-N-(3-ethoxypropyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 62558176
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
N-(3-ethoxypropyl)-2,3,3-trimethylbutan-1-amine
CID 83143458
(2S)-1-N-[2-[2-[[(2S)-2-aminopropyl]amino]ethoxy]ethyl]propane-1,2-diamine
CID 11806174
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62558324
1-N-(3-ethoxypropyl)-2-N-methyl-2-N-propylpropane-1,2-diamine
CID 62568786
1-(3-ethoxypropylamino)-4-methylpentan-2-ol
CID 107152558
1-N-(3-ethoxypropyl)-2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 62568135
2-cyclohexylsulfanyl-N-(3-ethoxypropyl)propan-1-amine
CID 62582253

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-ethoxypropyl)propane-1,2-diamine?
The IUPAC name of 1-N-(3-ethoxypropyl)propane-1,2-diamine (CID 62568793) is 1-N-(3-ethoxypropyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(3-ethoxypropyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(3-ethoxypropyl)propane-1,2-diamine is CCOCCCNCC(C)N.
What is the InChIKey of 1-N-(3-ethoxypropyl)propane-1,2-diamine?
The InChIKey is FGTIXBTYRLGHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-3-11-6-4-5-10-7-8(2)9/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 1-N-(3-ethoxypropyl)propane-1,2-diamine?
1-N-(3-ethoxypropyl)propane-1,2-diamine has a molecular weight of 160.26 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-ethoxypropyl)propane-1,2-diamine is sourced from PubChem (CID 62568793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).