(5R,7S)-7-aminoundecan-5-ol

C11H25NO — CID 13234597

IUPAC(5R,7S)-7-aminoundecan-5-ol
SMILESCCCC[C@H](N)C[C@H](O)CCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-11,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyHTNCAEFEQLYEIB-WDEREUQCSA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds8

About (5R,7S)-7-aminoundecan-5-ol

(5R,7S)-7-aminoundecan-5-ol (PubChem CID 13234597) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (5R,7S)-7-aminoundecan-5-ol.

Molecular Properties

Compound Name(5R,7S)-7-aminoundecan-5-ol
PubChem CID13234597
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(5R,7S)-7-aminoundecan-5-ol
SMILESCCCC[C@H](N)C[C@H](O)CCCC
InChIInChI=1S/C11H25NO/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-11,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1
InChIKeyHTNCAEFEQLYEIB-WDEREUQCSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminooctadecane-1,4-diol
CID 12701355
(2R,4R)-2-aminooctadecane-1,4-diol
CID 12701356
(5R,7S)-undecane-5,7-diol
CID 10899409
(6S,8S)-heptacosane-6,8-diol
CID 10693038
triacontane-6,8-diol
CID 85096450
(7S,9R)-tetratriacontane-7,9-diol
CID 165357894
(5S,7R)-dodecane-5,7-diol
CID 12060471
hentriacontane-14,16-diol
CID 87514654
3-aminodocosane-1,1-diol
CID 141352297
(2R,4R)-decane-2,4-diol
CID 16752205
decane-4,6-diol;scandium
CID 164810305
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-aminoundecan-5-ol?
The IUPAC name of (5R,7S)-7-aminoundecan-5-ol (CID 13234597) is (5R,7S)-7-aminoundecan-5-ol.
What is the SMILES notation for (5R,7S)-7-aminoundecan-5-ol?
The canonical SMILES for (5R,7S)-7-aminoundecan-5-ol is CCCC[C@H](N)C[C@H](O)CCCC.
What is the InChIKey of (5R,7S)-7-aminoundecan-5-ol?
The InChIKey is HTNCAEFEQLYEIB-WDEREUQCSA-N. The full InChI is InChI=1S/C11H25NO/c1-3-5-7-10(12)9-11(13)8-6-4-2/h10-11,13H,3-9,12H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (5R,7S)-7-aminoundecan-5-ol?
(5R,7S)-7-aminoundecan-5-ol has a molecular weight of 187.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-aminoundecan-5-ol is sourced from PubChem (CID 13234597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).