(2R)-5-amino-6-methylideneoctan-2-ol;ethane

C11H25NO — CID 145401106

IUPAC(2R)-5-amino-6-methylideneoctan-2-ol;ethane
SMILESC=C(CC)C(N)CC[C@@H](C)O.CC
InChIInChI=1S/C9H19NO.C2H6/c1-4-7(2)9(10)6-5-8(3)11;1-2/h8-9,11H,2,4-6,10H2,1,3H3;1-2H3/t8-,9?;/m1./s1
InChIKeyQXTOYJWNOAEZFG-URIXSHMWSA-N
MW187.33 g/mol
LogP2.47
Rot. Bonds5

About (2R)-5-amino-6-methylideneoctan-2-ol;ethane

(2R)-5-amino-6-methylideneoctan-2-ol;ethane (PubChem CID 145401106) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-5-amino-6-methylideneoctan-2-ol;ethane.

Molecular Properties

Compound Name(2R)-5-amino-6-methylideneoctan-2-ol;ethane
PubChem CID145401106
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-5-amino-6-methylideneoctan-2-ol;ethane
SMILESC=C(CC)C(N)CC[C@@H](C)O.CC
InChIInChI=1S/C9H19NO.C2H6/c1-4-7(2)9(10)6-5-8(3)11;1-2/h8-9,11H,2,4-6,10H2,1,3H3;1-2H3/t8-,9?;/m1./s1
InChIKeyQXTOYJWNOAEZFG-URIXSHMWSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 10059639
Halaminol B
CID 10013009
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2-Aminotetradec-13-en-3-ol
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(3R,4R)-4-amino-5-methylideneheptane-1,3,7-triol
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(2R)-4-(4-amino-2-methylcyclohexen-1-yl)butan-2-ol
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2-Amino-14-methylideneicosane-1,3-diol
CID 88039068
6-Aminonona-7,8-dien-3-ol
CID 88716045
7-Amino-5-methylideneoctan-1-ol
CID 89122258
(2R)-5-(methylamino)non-8-en-2-ol
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7-Amino-6-methylideneoctan-1-ol
CID 91152854

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol;ethane?
The IUPAC name of (2R)-5-amino-6-methylideneoctan-2-ol;ethane (CID 145401106) is (2R)-5-amino-6-methylideneoctan-2-ol;ethane.
What is the SMILES notation for (2R)-5-amino-6-methylideneoctan-2-ol;ethane?
The canonical SMILES for (2R)-5-amino-6-methylideneoctan-2-ol;ethane is C=C(CC)C(N)CC[C@@H](C)O.CC.
What is the InChIKey of (2R)-5-amino-6-methylideneoctan-2-ol;ethane?
The InChIKey is QXTOYJWNOAEZFG-URIXSHMWSA-N. The full InChI is InChI=1S/C9H19NO.C2H6/c1-4-7(2)9(10)6-5-8(3)11;1-2/h8-9,11H,2,4-6,10H2,1,3H3;1-2H3/t8-,9?;/m1./s1.
What are the key properties of (2R)-5-amino-6-methylideneoctan-2-ol;ethane?
(2R)-5-amino-6-methylideneoctan-2-ol;ethane has a molecular weight of 187.33 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-6-methylideneoctan-2-ol;ethane is sourced from PubChem (CID 145401106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).