N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride

C19H49Cl3N4O — CID 175045491

IUPACN-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
SMILESCCCCCCCCCCCCCCCC(=O)NC(N)CC.Cl.Cl.Cl.N.N
InChIInChI=1S/C19H40N2O.3ClH.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(20)4-2;;;;;/h18H,3-17,20H2,1-2H3,(H,21,22);3*1H;2*1H3
InChIKeyRGTYHYKCDKBVCQ-UHFFFAOYSA-N
MW455.99 g/mol
LogP6.87
Rot. Bonds16

About N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride

N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride (PubChem CID 175045491) has the molecular formula C19H49Cl3N4O and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride.

Molecular Properties

Compound NameN-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
PubChem CID175045491
Molecular FormulaC19H49Cl3N4O
Molecular Weight455.99 g/mol
Exact Mass454.30
IUPAC NameN-(1-aminopropyl)hexadecanamide;azane;trihydrochloride
SMILESCCCCCCCCCCCCCCCC(=O)NC(N)CC.Cl.Cl.Cl.N.N
InChIInChI=1S/C19H40N2O.3ClH.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(20)4-2;;;;;/h18H,3-17,20H2,1-2H3,(H,21,22);3*1H;2*1H3
InChIKeyRGTYHYKCDKBVCQ-UHFFFAOYSA-N
XLogP6.87
TPSA125.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.99
LogP ≤ 56.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(1,2-diaminoethyl)heptanamide
CID 164724851
N-pentan-3-yldocosanamide
CID 123339332
N-[1-(octanoylamino)propyl]octanamide
CID 175099053
N-(4-amino-5,6-dihydroxyhexan-3-yl)hexadecanamide
CID 175534161
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
azane;N-[1-(dimethylamino)propyl]octadecanamide
CID 175326640
N-pentan-2-ylundecanamide
CID 173258559
1-(hexadecanoylamino)propane-1-sulfonic acid
CID 156636169
N-[1-(methylamino)propyl]docosanamide
CID 87067975
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-(1-amino-2-methyl-3-oxotetradecyl)dodecanamide
CID 87974020

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride?
The IUPAC name of N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride (CID 175045491) is N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride.
What is the SMILES notation for N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride?
The canonical SMILES for N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride is CCCCCCCCCCCCCCCC(=O)NC(N)CC.Cl.Cl.Cl.N.N.
What is the InChIKey of N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride?
The InChIKey is RGTYHYKCDKBVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O.3ClH.2H3N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18(20)4-2;;;;;/h18H,3-17,20H2,1-2H3,(H,21,22);3*1H;2*1H3.
What are the key properties of N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride?
N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride has a molecular weight of 455.99 g/mol, XLogP of 6.87, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropyl)hexadecanamide;azane;trihydrochloride is sourced from PubChem (CID 175045491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).