(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol

C11H23NO — CID 88884377

IUPAC(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol
SMILESC=CCCC(C)(CC)[C@@H](O)C(C)N
InChIInChI=1S/C11H23NO/c1-5-7-8-11(4,6-2)10(13)9(3)12/h5,9-10,13H,1,6-8,12H2,2-4H3/t9?,10-,11?/m0/s1
InChIKeyCPOFIEGJPCBTFB-YVNMAJEFSA-N
MW185.31 g/mol
LogP2.08
Rot. Bonds6

About (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol

(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol (PubChem CID 88884377) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol.

Molecular Properties

Compound Name(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol
PubChem CID88884377
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol
SMILESC=CCCC(C)(CC)[C@@H](O)C(C)N
InChIInChI=1S/C11H23NO/c1-5-7-8-11(4,6-2)10(13)9(3)12/h5,9-10,13H,1,6-8,12H2,2-4H3/t9?,10-,11?/m0/s1
InChIKeyCPOFIEGJPCBTFB-YVNMAJEFSA-N
XLogP2.08
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
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 (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol?
The IUPAC name of (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol (CID 88884377) is (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol.
What is the SMILES notation for (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol?
The canonical SMILES for (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol is C=CCCC(C)(CC)[C@@H](O)C(C)N.
What is the InChIKey of (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol?
The InChIKey is CPOFIEGJPCBTFB-YVNMAJEFSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-8-11(4,6-2)10(13)9(3)12/h5,9-10,13H,1,6-8,12H2,2-4H3/t9?,10-,11?/m0/s1.
What are the key properties of (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol?
(3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-4-ethyl-4-methyloct-7-en-3-ol is sourced from PubChem (CID 88884377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).