(2S)-3-(2-ethylbutoxy)but-3-en-2-amine

C10H21NO — CID 147663450

IUPAC(2S)-3-(2-ethylbutoxy)but-3-en-2-amine
SMILESC=C(OCC(CC)CC)[C@H](C)N
InChIInChI=1S/C10H21NO/c1-5-10(6-2)7-12-9(4)8(3)11/h8,10H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyGLVBDTLCUODLLZ-QMMMGPOBSA-N
MW171.28 g/mol
LogP2.30
Rot. Bonds6

About (2S)-3-(2-ethylbutoxy)but-3-en-2-amine

(2S)-3-(2-ethylbutoxy)but-3-en-2-amine (PubChem CID 147663450) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S)-3-(2-ethylbutoxy)but-3-en-2-amine.

Molecular Properties

Compound Name(2S)-3-(2-ethylbutoxy)but-3-en-2-amine
PubChem CID147663450
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S)-3-(2-ethylbutoxy)but-3-en-2-amine
SMILESC=C(OCC(CC)CC)[C@H](C)N
InChIInChI=1S/C10H21NO/c1-5-10(6-2)7-12-9(4)8(3)11/h8,10H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyGLVBDTLCUODLLZ-QMMMGPOBSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-ethylbutoxy)but-3-en-2-amine?
The IUPAC name of (2S)-3-(2-ethylbutoxy)but-3-en-2-amine (CID 147663450) is (2S)-3-(2-ethylbutoxy)but-3-en-2-amine.
What is the SMILES notation for (2S)-3-(2-ethylbutoxy)but-3-en-2-amine?
The canonical SMILES for (2S)-3-(2-ethylbutoxy)but-3-en-2-amine is C=C(OCC(CC)CC)[C@H](C)N.
What is the InChIKey of (2S)-3-(2-ethylbutoxy)but-3-en-2-amine?
The InChIKey is GLVBDTLCUODLLZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(6-2)7-12-9(4)8(3)11/h8,10H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-3-(2-ethylbutoxy)but-3-en-2-amine?
(2S)-3-(2-ethylbutoxy)but-3-en-2-amine has a molecular weight of 171.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-ethylbutoxy)but-3-en-2-amine is sourced from PubChem (CID 147663450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).