(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol

C13H27NO — CID 56990900

IUPAC(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
SMILESC=CC(C[C@H](N)[C@@H](O)CC(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-11(10(4)5)8-12(14)13(15)7-9(2)3/h6,9-13,15H,1,7-8,14H2,2-5H3/t11?,12-,13-/m0/s1
InChIKeyYHRWFWYMKGUKBP-SPOOISQMSA-N
MW213.36 g/mol
LogP2.57
Rot. Bonds7

About (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol

(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol (PubChem CID 56990900) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
PubChem CID56990900
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol
SMILESC=CC(C[C@H](N)[C@@H](O)CC(C)C)C(C)C
InChIInChI=1S/C13H27NO/c1-6-11(10(4)5)8-12(14)13(15)7-9(2)3/h6,9-13,15H,1,7-8,14H2,2-5H3/t11?,12-,13-/m0/s1
InChIKeyYHRWFWYMKGUKBP-SPOOISQMSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.57
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 (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol?
The IUPAC name of (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol (CID 56990900) is (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol.
What is the SMILES notation for (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol?
The canonical SMILES for (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol is C=CC(C[C@H](N)[C@@H](O)CC(C)C)C(C)C.
What is the InChIKey of (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol?
The InChIKey is YHRWFWYMKGUKBP-SPOOISQMSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-11(10(4)5)8-12(14)13(15)7-9(2)3/h6,9-13,15H,1,7-8,14H2,2-5H3/t11?,12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol?
(4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-amino-2-methyl-7-propan-2-ylnon-8-en-4-ol is sourced from PubChem (CID 56990900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).