1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol

C13H27NO — CID 19790828

IUPAC1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
SMILESC=CC(CCCCC(C)C(N)O)C(C)C
InChIInChI=1S/C13H27NO/c1-5-12(10(2)3)9-7-6-8-11(4)13(14)15/h5,10-13,15H,1,6-9,14H2,2-4H3
InChIKeyOWPCPJKGIGYCSE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.92
Rot. Bonds8

About 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol

1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol (PubChem CID 19790828) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol.

Molecular Properties

Compound Name1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
PubChem CID19790828
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol
SMILESC=CC(CCCCC(C)C(N)O)C(C)C
InChIInChI=1S/C13H27NO/c1-5-12(10(2)3)9-7-6-8-11(4)13(14)15/h5,10-13,15H,1,6-9,14H2,2-4H3
InChIKeyOWPCPJKGIGYCSE-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol?
The IUPAC name of 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol (CID 19790828) is 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol.
What is the SMILES notation for 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol?
The canonical SMILES for 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol is C=CC(CCCCC(C)C(N)O)C(C)C.
What is the InChIKey of 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol?
The InChIKey is OWPCPJKGIGYCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-12(10(2)3)9-7-6-8-11(4)13(14)15/h5,10-13,15H,1,6-9,14H2,2-4H3.
What are the key properties of 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol?
1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-7-propan-2-ylnon-8-en-1-ol is sourced from PubChem (CID 19790828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).