(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol

C13H27NO — CID 163319732

IUPAC(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
SMILESC/C=C(\C)CC[C@@H](O)C(CC)CCCN
InChIInChI=1S/C13H27NO/c1-4-11(3)8-9-13(15)12(5-2)7-6-10-14/h4,12-13,15H,5-10,14H2,1-3H3/b11-4+/t12?,13-/m1/s1
InChIKeyOJDHTMWQWVBOFZ-TZCZZZNCSA-N
MW213.36 g/mol
LogP2.86
Rot. Bonds8

About (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol

(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol (PubChem CID 163319732) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol.

Molecular Properties

Compound Name(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
PubChem CID163319732
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol
SMILESC/C=C(\C)CC[C@@H](O)C(CC)CCCN
InChIInChI=1S/C13H27NO/c1-4-11(3)8-9-13(15)12(5-2)7-6-10-14/h4,12-13,15H,5-10,14H2,1-3H3/b11-4+/t12?,13-/m1/s1
InChIKeyOJDHTMWQWVBOFZ-TZCZZZNCSA-N
XLogP2.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.86
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 89473215
9-Amino-3-methylnon-6-en-2-ol
CID 91261057
4-(2-Aminoethyl)nonadec-10-ene-2,3-diol
CID 91291137
10-Amino-4-methyldec-6-en-3-ol
CID 91598548
2-Amino-3,6,7-trimethyloct-7-en-4-ol
CID 123474935
Amino-(2-ethylcyclohex-2-en-1-yl)methanol
CID 123580347
(1S,2R)-2-amino-1-cyclohex-3-en-1-ylpropan-1-ol
CID 132024085

Frequently Asked Questions

What is the IUPAC name of (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol?
The IUPAC name of (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol (CID 163319732) is (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol.
What is the SMILES notation for (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol?
The canonical SMILES for (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol is C/C=C(\C)CC[C@@H](O)C(CC)CCCN.
What is the InChIKey of (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol?
The InChIKey is OJDHTMWQWVBOFZ-TZCZZZNCSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-11(3)8-9-13(15)12(5-2)7-6-10-14/h4,12-13,15H,5-10,14H2,1-3H3/b11-4+/t12?,13-/m1/s1.
What are the key properties of (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol?
(E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol has a molecular weight of 213.36 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R,5R)-1-amino-4-ethyl-8-methyldec-8-en-5-ol is sourced from PubChem (CID 163319732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).