1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine

C10H22N2O2 — CID 142759994

IUPAC1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine
SMILESC=CC(N)COCCOCC(N)CC
InChIInChI=1S/C10H22N2O2/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3,9-10H,1,4-8,11-12H2,2H3
InChIKeyOZDPRTZDRWZCGM-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.27
Rot. Bonds9

About 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine

1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine (PubChem CID 142759994) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine.

Molecular Properties

Compound Name1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine
PubChem CID142759994
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine
SMILESC=CC(N)COCCOCC(N)CC
InChIInChI=1S/C10H22N2O2/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3,9-10H,1,4-8,11-12H2,2H3
InChIKeyOZDPRTZDRWZCGM-UHFFFAOYSA-N
XLogP0.27
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Vinyl-2-aminoethyl ether
CID 88831914
2-[2-(2-Pent-4-enoxyethoxy)ethoxy]ethanamine
CID 91463508
2-(2-Pent-4-enoxyethoxy)ethanamine
CID 132147373
1-(2-Methoxyethoxy)propan-2-amine;prop-1-ene
CID 142354020
(2S)-1-(2-methoxyethoxy)propan-2-amine;prop-1-ene
CID 142354047
2-[2-(2-But-3-enoxyethoxy)ethoxy]ethanamine
CID 144025571
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]but-3-en-2-amine
CID 155457194
(2S)-3-[2-(2-methoxyethoxy)ethoxy]but-3-en-2-amine
CID 163930191
1-Propoxypent-4-en-2-amine
CID 61810750
2-(2-But-3-enoxyethoxy)ethanamine
CID 84006682
1-But-3-enoxybutan-2-amine
CID 84006764
5-(2-Methoxyethoxy)pent-1-en-3-amine
CID 102927827

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine?
The IUPAC name of 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine (CID 142759994) is 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine.
What is the SMILES notation for 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine?
The canonical SMILES for 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine is C=CC(N)COCCOCC(N)CC.
What is the InChIKey of 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine?
The InChIKey is OZDPRTZDRWZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-9(11)7-13-5-6-14-8-10(12)4-2/h3,9-10H,1,4-8,11-12H2,2H3.
What are the key properties of 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine?
1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 0.27, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminobut-3-enoxy)ethoxy]butan-2-amine is sourced from PubChem (CID 142759994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).