pentyl 9-(3-hydroxypropylamino)nonanoate

C17H35NO3 — CID 171836826

IUPACpentyl 9-(3-hydroxypropylamino)nonanoate
SMILESCCCCCOC(=O)CCCCCCCCNCCCO
InChIInChI=1S/C17H35NO3/c1-2-3-10-16-21-17(20)12-8-6-4-5-7-9-13-18-14-11-15-19/h18-19H,2-16H2,1H3
InChIKeyCALUCYFLLRZTPO-UHFFFAOYSA-N
MW301.47 g/mol
LogP3.42
Rot. Bonds16

About pentyl 9-(3-hydroxypropylamino)nonanoate

pentyl 9-(3-hydroxypropylamino)nonanoate (PubChem CID 171836826) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is pentyl 9-(3-hydroxypropylamino)nonanoate.

Molecular Properties

Compound Namepentyl 9-(3-hydroxypropylamino)nonanoate
PubChem CID171836826
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Namepentyl 9-(3-hydroxypropylamino)nonanoate
SMILESCCCCCOC(=O)CCCCCCCCNCCCO
InChIInChI=1S/C17H35NO3/c1-2-3-10-16-21-17(20)12-8-6-4-5-7-9-13-18-14-11-15-19/h18-19H,2-16H2,1H3
InChIKeyCALUCYFLLRZTPO-UHFFFAOYSA-N
XLogP3.42
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
pentyl 9-(4-hydroxybutylamino)nonanoate
CID 171836775
nonyl 8-(2-hydroxyethylamino)octanoate
CID 126697653
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
nonyl 4-(nonylamino)butanoate
CID 142432007
8-[(8-nonoxy-8-oxooctyl)amino]octanoic acid
CID 151935733
dodecyl 6-(5-aminopentylamino)hexanoate
CID 58105631
12-hydroxydodecyl dodecanoate
CID 23320424
31-hydroxyhentriacontyl dodecanoate
CID 166097629

Frequently Asked Questions

What is the IUPAC name of pentyl 9-(3-hydroxypropylamino)nonanoate?
The IUPAC name of pentyl 9-(3-hydroxypropylamino)nonanoate (CID 171836826) is pentyl 9-(3-hydroxypropylamino)nonanoate.
What is the SMILES notation for pentyl 9-(3-hydroxypropylamino)nonanoate?
The canonical SMILES for pentyl 9-(3-hydroxypropylamino)nonanoate is CCCCCOC(=O)CCCCCCCCNCCCO.
What is the InChIKey of pentyl 9-(3-hydroxypropylamino)nonanoate?
The InChIKey is CALUCYFLLRZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO3/c1-2-3-10-16-21-17(20)12-8-6-4-5-7-9-13-18-14-11-15-19/h18-19H,2-16H2,1H3.
What are the key properties of pentyl 9-(3-hydroxypropylamino)nonanoate?
pentyl 9-(3-hydroxypropylamino)nonanoate has a molecular weight of 301.47 g/mol, XLogP of 3.42, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 9-(3-hydroxypropylamino)nonanoate is sourced from PubChem (CID 171836826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).