(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol

C10H22N2O — CID 90454009

IUPAC(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN/C=C(\C)C(C)N
InChIInChI=1S/C10H22N2O/c1-4-5-10(13)7-12-6-8(2)9(3)11/h6,9-10,12-13H,4-5,7,11H2,1-3H3/b8-6+/t9?,10-/m0/s1
InChIKeyXXCYMNNCJRTEJX-XTDVFMGRSA-N
MW186.30 g/mol
LogP0.99
Rot. Bonds6

About (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol

(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol (PubChem CID 90454009) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol
PubChem CID90454009
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol
SMILESCCC[C@H](O)CN/C=C(\C)C(C)N
InChIInChI=1S/C10H22N2O/c1-4-5-10(13)7-12-6-8(2)9(3)11/h6,9-10,12-13H,4-5,7,11H2,1-3H3/b8-6+/t9?,10-/m0/s1
InChIKeyXXCYMNNCJRTEJX-XTDVFMGRSA-N
XLogP0.99
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol?
The IUPAC name of (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol (CID 90454009) is (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol.
What is the SMILES notation for (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol?
The canonical SMILES for (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol is CCC[C@H](O)CN/C=C(\C)C(C)N.
What is the InChIKey of (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol?
The InChIKey is XXCYMNNCJRTEJX-XTDVFMGRSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-5-10(13)7-12-6-8(2)9(3)11/h6,9-10,12-13H,4-5,7,11H2,1-3H3/b8-6+/t9?,10-/m0/s1.
What are the key properties of (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol?
(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol has a molecular weight of 186.30 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol is sourced from PubChem (CID 90454009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).