ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium

C16H35N2O+ — CID 175120674

IUPACethyl-dimethyl-[1-(nonanoylamino)propyl]azanium
SMILESCCCCCCCCC(=O)NC(CC)[N+](C)(C)CC
InChIInChI=1S/C16H34N2O/c1-6-9-10-11-12-13-14-16(19)17-15(7-2)18(4,5)8-3/h15H,6-14H2,1-5H3/p+1
InChIKeyCTTRSVFBXAPGHX-UHFFFAOYSA-O
MW271.47 g/mol
LogP3.69
Rot. Bonds11

About ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium

ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium (PubChem CID 175120674) has the molecular formula C16H35N2O+ and a molecular weight of 271.47 g/mol. Its IUPAC name is ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[1-(nonanoylamino)propyl]azanium
PubChem CID175120674
Molecular FormulaC16H35N2O+
Molecular Weight271.47 g/mol
Exact Mass271.27
IUPAC Nameethyl-dimethyl-[1-(nonanoylamino)propyl]azanium
SMILESCCCCCCCCC(=O)NC(CC)[N+](C)(C)CC
InChIInChI=1S/C16H34N2O/c1-6-9-10-11-12-13-14-16(19)17-15(7-2)18(4,5)8-3/h15H,6-14H2,1-5H3/p+1
InChIKeyCTTRSVFBXAPGHX-UHFFFAOYSA-O
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

diethyl-methyl-[1-(octadecanoylamino)propyl]azanium
CID 19831619
trimethyl-[1-(octadecanoylamino)propyl]azanium chloride
CID 3015842
1-(dodecanoylamino)propyl-(1-hydroxyethyl)-dimethylazanium
CID 87078241
N,N-dimethylmethanamine;trimethyl-[1-(octadecanoylamino)propyl]azanium;hydrochloride
CID 175534210
N-pentan-3-yldocosanamide
CID 123339332
1-(dodecanoylamino)propyl-trimethylazanium;methyl sulfate
CID 22989050
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
bis[1-(dodecanoylamino)ethyl]-dimethylazanium chloride
CID 23119748
triethyl-(octadecanoylamino)azanium
CID 54543010
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium?
The IUPAC name of ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium (CID 175120674) is ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium?
The canonical SMILES for ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium is CCCCCCCCC(=O)NC(CC)[N+](C)(C)CC.
What is the InChIKey of ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium?
The InChIKey is CTTRSVFBXAPGHX-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H34N2O/c1-6-9-10-11-12-13-14-16(19)17-15(7-2)18(4,5)8-3/h15H,6-14H2,1-5H3/p+1.
What are the key properties of ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium?
ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium has a molecular weight of 271.47 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[1-(nonanoylamino)propyl]azanium is sourced from PubChem (CID 175120674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).