(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine

C10H21NO — CID 11745084

IUPAC(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine
SMILESC=CC[C@@H](N)[C@H](C)OC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-7-9(11)8(2)12-10(3,4)5/h6,8-9H,1,7,11H2,2-5H3/t8-,9+/m0/s1
InChIKeyQBTZWZPGNULEPT-DTWKUNHWSA-N
MW171.28 g/mol
LogP2.09
Rot. Bonds4

About (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine

(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine (PubChem CID 11745084) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine.

Molecular Properties

Compound Name(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine
PubChem CID11745084
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine
SMILESC=CC[C@@H](N)[C@H](C)OC(C)(C)C
InChIInChI=1S/C10H21NO/c1-6-7-9(11)8(2)12-10(3,4)5/h6,8-9H,1,7,11H2,2-5H3/t8-,9+/m0/s1
InChIKeyQBTZWZPGNULEPT-DTWKUNHWSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine?
The IUPAC name of (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine (CID 11745084) is (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine.
What is the SMILES notation for (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine?
The canonical SMILES for (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine is C=CC[C@@H](N)[C@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine?
The InChIKey is QBTZWZPGNULEPT-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H21NO/c1-6-7-9(11)8(2)12-10(3,4)5/h6,8-9H,1,7,11H2,2-5H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine?
(2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine has a molecular weight of 171.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-[(2-methylpropan-2-yl)oxy]hex-5-en-3-amine is sourced from PubChem (CID 11745084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).