2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium

C19H40N2O2 — CID 88801156

IUPAC2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium
SMILESCCCCCCCCCCCCC(CCCN(C)C)C(=O)[NH2+][O-]
InChIInChI=1S/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(22)20-23)16-14-17-21(2)3/h18H,4-17,20H2,1-3H3
InChIKeyLNCCCRKRIVRXCO-UHFFFAOYSA-N
MW328.54 g/mol
LogP3.84
Rot. Bonds16

About 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium

2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium (PubChem CID 88801156) has the molecular formula C19H40N2O2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium
PubChem CID88801156
Molecular FormulaC19H40N2O2
Molecular Weight328.54 g/mol
Exact Mass328.31
IUPAC Name2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium
SMILESCCCCCCCCCCCCC(CCCN(C)C)C(=O)[NH2+][O-]
InChIInChI=1S/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(22)20-23)16-14-17-21(2)3/h18H,4-17,20H2,1-3H3
InChIKeyLNCCCRKRIVRXCO-UHFFFAOYSA-N
XLogP3.84
TPSA59.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)propyl]tetradecanoic acid
CID 174886479
acetic acid;2-[3-(dimethylamino)propyl]octadecanamide
CID 163839968
CID 174952919
CID 174952919
3-(dimethylamino)propyl 2-butyloctanoate
CID 139372197
N,N-dimethyl-4-pentyldecan-1-amine
CID 154963901
3-(dimethylamino)propyl 2-butylheptanoate
CID 90858053
(6R)-16-decyl-1-(dimethylamino)-6-ethylhexacosan-7-one
CID 88890446
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
CID 54060083
1-(dimethylamino)-11-hexylheptadecan-6-one
CID 170053331
CID 87839414
CID 87839414
9,11-dipentylnonadecan-10-one
CID 174915946

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium?
The IUPAC name of 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium (CID 88801156) is 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium?
The canonical SMILES for 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium is CCCCCCCCCCCCC(CCCN(C)C)C(=O)[NH2+][O-].
What is the InChIKey of 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium?
The InChIKey is LNCCCRKRIVRXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O2/c1-4-5-6-7-8-9-10-11-12-13-15-18(19(22)20-23)16-14-17-21(2)3/h18H,4-17,20H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium?
2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium has a molecular weight of 328.54 g/mol, XLogP of 3.84, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]tetradecanoyl-oxidoazanium is sourced from PubChem (CID 88801156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).