9-[heptyl(4-hydroxybutyl)amino]nonanal

C20H41NO2 — CID 170023056

IUPAC9-[heptyl(4-hydroxybutyl)amino]nonanal
SMILESCCCCCCCN(CCCCO)CCCCCCCCC=O
InChIInChI=1S/C20H41NO2/c1-2-3-4-8-11-16-21(18-13-15-20-23)17-12-9-6-5-7-10-14-19-22/h19,23H,2-18,20H2,1H3
InChIKeyAJSGYGVVKKYVHE-UHFFFAOYSA-N
MW327.55 g/mol
LogP4.96
Rot. Bonds19

About 9-[heptyl(4-hydroxybutyl)amino]nonanal

9-[heptyl(4-hydroxybutyl)amino]nonanal (PubChem CID 170023056) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 9-[heptyl(4-hydroxybutyl)amino]nonanal.

Molecular Properties

Compound Name9-[heptyl(4-hydroxybutyl)amino]nonanal
PubChem CID170023056
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name9-[heptyl(4-hydroxybutyl)amino]nonanal
SMILESCCCCCCCN(CCCCO)CCCCCCCCC=O
InChIInChI=1S/C20H41NO2/c1-2-3-4-8-11-16-21(18-13-15-20-23)17-12-9-6-5-7-10-14-19-22/h19,23H,2-18,20H2,1H3
InChIKeyAJSGYGVVKKYVHE-UHFFFAOYSA-N
XLogP4.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.55
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(didecylamino)pentanal
CID 162037939
10-[4-hydroxybutyl(10-oxodecyl)amino]decanal
CID 170733192
docosan-1-ol;icosanal;tricosan-1-ol
CID 161210257
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
13-[13-hydroxytridecyl(undecyl)amino]tridecan-1-ol
CID 102118007
N,N-didodecyldodecan-1-amine;hexan-1-ol
CID 90010873
13-[13-hydroxytridecyl(tetradecyl)amino]tridecan-1-ol
CID 102118025
10-[hexyl(10-hydroxydecyl)amino]decan-1-ol
CID 102117974
12-[12-hydroxydodecyl(octyl)amino]dodecan-1-ol
CID 102117988
5-(dihexylamino)pentan-1-ol
CID 22218544
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
octyl 9-[4-hydroxybutyl(8-oxooctyl)amino]nonanoate
CID 169229346

Frequently Asked Questions

What is the IUPAC name of 9-[heptyl(4-hydroxybutyl)amino]nonanal?
The IUPAC name of 9-[heptyl(4-hydroxybutyl)amino]nonanal (CID 170023056) is 9-[heptyl(4-hydroxybutyl)amino]nonanal.
What is the SMILES notation for 9-[heptyl(4-hydroxybutyl)amino]nonanal?
The canonical SMILES for 9-[heptyl(4-hydroxybutyl)amino]nonanal is CCCCCCCN(CCCCO)CCCCCCCCC=O.
What is the InChIKey of 9-[heptyl(4-hydroxybutyl)amino]nonanal?
The InChIKey is AJSGYGVVKKYVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-2-3-4-8-11-16-21(18-13-15-20-23)17-12-9-6-5-7-10-14-19-22/h19,23H,2-18,20H2,1H3.
What are the key properties of 9-[heptyl(4-hydroxybutyl)amino]nonanal?
9-[heptyl(4-hydroxybutyl)amino]nonanal has a molecular weight of 327.55 g/mol, XLogP of 4.96, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[heptyl(4-hydroxybutyl)amino]nonanal is sourced from PubChem (CID 170023056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).