N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid

C19H43NO4S — CID 87804874

IUPACN-(3-methylbutyl)tetradecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCCCNCCC(C)C.O=S(=O)(O)O
InChIInChI=1S/C19H41N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3;1-5(2,3)4/h19-20H,4-18H2,1-3H3;(H2,1,2,3,4)
InChIKeyMPIKVGPCMNQPSG-UHFFFAOYSA-N
MW381.62 g/mol
LogP5.67
Rot. Bonds16

About N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid

N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid (PubChem CID 87804874) has the molecular formula C19H43NO4S and a molecular weight of 381.62 g/mol. Its IUPAC name is N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid.

Molecular Properties

Compound NameN-(3-methylbutyl)tetradecan-1-amine;sulfuric acid
PubChem CID87804874
Molecular FormulaC19H43NO4S
Molecular Weight381.62 g/mol
Exact Mass381.29
IUPAC NameN-(3-methylbutyl)tetradecan-1-amine;sulfuric acid
SMILESCCCCCCCCCCCCCCNCCC(C)C.O=S(=O)(O)O
InChIInChI=1S/C19H41N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3;1-5(2,3)4/h19-20H,4-18H2,1-3H3;(H2,1,2,3,4)
InChIKeyMPIKVGPCMNQPSG-UHFFFAOYSA-N
XLogP5.67
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.62
LogP ≤ 55.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid?
The IUPAC name of N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid (CID 87804874) is N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid.
What is the SMILES notation for N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid?
The canonical SMILES for N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid is CCCCCCCCCCCCCCNCCC(C)C.O=S(=O)(O)O.
What is the InChIKey of N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid?
The InChIKey is MPIKVGPCMNQPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19(2)3;1-5(2,3)4/h19-20H,4-18H2,1-3H3;(H2,1,2,3,4).
What are the key properties of N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid?
N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid has a molecular weight of 381.62 g/mol, XLogP of 5.67, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)tetradecan-1-amine;sulfuric acid is sourced from PubChem (CID 87804874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).