3-[hexyl(pentyl)amino]propyl-trimethylazanium

C17H39N2+ — CID 143920311

IUPAC3-[hexyl(pentyl)amino]propyl-trimethylazanium
SMILESCCCCCCN(CCCCC)CCC[N+](C)(C)C
InChIInChI=1S/C17H39N2/c1-6-8-10-12-15-18(14-11-9-7-2)16-13-17-19(3,4)5/h6-17H2,1-5H3/q+1
InChIKeyDRKBTYILCXPLHH-UHFFFAOYSA-N
MW271.51 g/mol
LogP4.16
Rot. Bonds13

About 3-[hexyl(pentyl)amino]propyl-trimethylazanium

3-[hexyl(pentyl)amino]propyl-trimethylazanium (PubChem CID 143920311) has the molecular formula C17H39N2+ and a molecular weight of 271.51 g/mol. Its IUPAC name is 3-[hexyl(pentyl)amino]propyl-trimethylazanium.

Molecular Properties

Compound Name3-[hexyl(pentyl)amino]propyl-trimethylazanium
PubChem CID143920311
Molecular FormulaC17H39N2+
Molecular Weight271.51 g/mol
Exact Mass271.31
IUPAC Name3-[hexyl(pentyl)amino]propyl-trimethylazanium
SMILESCCCCCCN(CCCCC)CCC[N+](C)(C)C
InChIInChI=1S/C17H39N2/c1-6-8-10-12-15-18(14-11-9-7-2)16-13-17-19(3,4)5/h6-17H2,1-5H3/q+1
InChIKeyDRKBTYILCXPLHH-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N,N-dihexyloctan-1-amine
CID 21418080
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dipentylhexadecan-1-amine
CID 139723811
N,N,N',N'-tetra(undecyl)pentane-1,5-diamine
CID 152635971
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683
N,N-didecyltridecan-1-amine
CID 139723202
N,N-dipentyltridecan-1-amine
CID 139723521
N,N'-didodecyl-N,N'-dioctylhexane-1,6-diamine
CID 154294870

Frequently Asked Questions

What is the IUPAC name of 3-[hexyl(pentyl)amino]propyl-trimethylazanium?
The IUPAC name of 3-[hexyl(pentyl)amino]propyl-trimethylazanium (CID 143920311) is 3-[hexyl(pentyl)amino]propyl-trimethylazanium.
What is the SMILES notation for 3-[hexyl(pentyl)amino]propyl-trimethylazanium?
The canonical SMILES for 3-[hexyl(pentyl)amino]propyl-trimethylazanium is CCCCCCN(CCCCC)CCC[N+](C)(C)C.
What is the InChIKey of 3-[hexyl(pentyl)amino]propyl-trimethylazanium?
The InChIKey is DRKBTYILCXPLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N2/c1-6-8-10-12-15-18(14-11-9-7-2)16-13-17-19(3,4)5/h6-17H2,1-5H3/q+1.
What are the key properties of 3-[hexyl(pentyl)amino]propyl-trimethylazanium?
3-[hexyl(pentyl)amino]propyl-trimethylazanium has a molecular weight of 271.51 g/mol, XLogP of 4.16, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hexyl(pentyl)amino]propyl-trimethylazanium is sourced from PubChem (CID 143920311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).