trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium

C15H33N2O+ — CID 87523396

IUPACtrimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
SMILESCC(C)CC(C(=O)NCCC[N+](C)(C)C)C(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)11-14(13(3)4)15(18)16-9-8-10-17(5,6)7/h12-14H,8-11H2,1-7H3/p+1
InChIKeyNHLIHSJOXTVSIK-UHFFFAOYSA-O
MW257.44 g/mol
LogP2.52
Rot. Bonds8

About trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium

trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium (PubChem CID 87523396) has the molecular formula C15H33N2O+ and a molecular weight of 257.44 g/mol. Its IUPAC name is trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium.

Molecular Properties

Compound Nametrimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
PubChem CID87523396
Molecular FormulaC15H33N2O+
Molecular Weight257.44 g/mol
Exact Mass257.26
IUPAC Nametrimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium
SMILESCC(C)CC(C(=O)NCCC[N+](C)(C)C)C(C)C
InChIInChI=1S/C15H32N2O/c1-12(2)11-14(13(3)4)15(18)16-9-8-10-17(5,6)7/h12-14H,8-11H2,1-7H3/p+1
InChIKeyNHLIHSJOXTVSIK-UHFFFAOYSA-O
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-[3-(dimethylamino)propyl]-4-methyl-2-propan-2-ylpentanamide
CID 130379782
N-(2-aminoethyl)-4-methyl-2-propan-2-ylpentanamide
CID 118593084
(2R)-N-[4-(diaminomethylideneamino)butyl]-4-methyl-2-propan-2-ylpentanamide
CID 146587303
trimethyl-[3-[[(2R)-2-[4-(2-methylpropyl)phenyl]propanoyl]amino]propyl]azanium
CID 10274425
3-[(3-carboxy-2,5-dimethyltridecanoyl)amino]propyl-trimethylazanium
CID 118134697
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium chloride
CID 177404233
N-propan-2-ylprop-2-enamide;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;chloride
CID 175371989
azanium;trimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium;dichloride
CID 172822274
hydroxy-[3-(trimethylazaniumyl)propylcarbamoyl]phosphinate
CID 10176883
azanium;trimethyl-[3-(prop-2-enoylamino)propyl]azanium;dichloride
CID 158028847
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium?
The IUPAC name of trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium (CID 87523396) is trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium.
What is the SMILES notation for trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium?
The canonical SMILES for trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium is CC(C)CC(C(=O)NCCC[N+](C)(C)C)C(C)C.
What is the InChIKey of trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium?
The InChIKey is NHLIHSJOXTVSIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H32N2O/c1-12(2)11-14(13(3)4)15(18)16-9-8-10-17(5,6)7/h12-14H,8-11H2,1-7H3/p+1.
What are the key properties of trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium?
trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium has a molecular weight of 257.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-[(4-methyl-2-propan-2-ylpentanoyl)amino]propyl]azanium is sourced from PubChem (CID 87523396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).