bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid

C20H34N4O4S — CID 173404341

IUPACbis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid
SMILESCc1cccnc1CCCCN.Cc1cccnc1CCCCN.O=S(=O)(O)O
InChIInChI=1S/2C10H16N2.H2O4S/c2*1-9-5-4-8-12-10(9)6-2-3-7-11;1-5(2,3)4/h2*4-5,8H,2-3,6-7,11H2,1H3;(H2,1,2,3,4)
InChIKeyDPSSZYVUMFRKPL-UHFFFAOYSA-N
MW426.58 g/mol
LogP2.69
Rot. Bonds8

About bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid

bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid (PubChem CID 173404341) has the molecular formula C20H34N4O4S and a molecular weight of 426.58 g/mol. Its IUPAC name is bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid.

Molecular Properties

Compound Namebis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid
PubChem CID173404341
Molecular FormulaC20H34N4O4S
Molecular Weight426.58 g/mol
Exact Mass426.23
IUPAC Namebis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid
SMILESCc1cccnc1CCCCN.Cc1cccnc1CCCCN.O=S(=O)(O)O
InChIInChI=1S/2C10H16N2.H2O4S/c2*1-9-5-4-8-12-10(9)6-2-3-7-11;1-5(2,3)4/h2*4-5,8H,2-3,6-7,11H2,1H3;(H2,1,2,3,4)
InChIKeyDPSSZYVUMFRKPL-UHFFFAOYSA-N
XLogP2.69
TPSA152.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
2-butyl-3-methylpyridine;4-methylbenzenesulfonic acid
CID 162332170
azane;2-butyl-3-methylpyridine
CID 175305988
2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
CID 112651586
3-(3-methyl-2-pyridinyl)propanamide
CID 20592751
4-methylbenzenesulfonic acid;3-methyl-2-propylpyridine
CID 175852128
4-aminobutyl-methyl-bis[(3-methyl-2-pyridinyl)methyl]azanium
CID 91149031
2-[[4-aminobutyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]pyridin-3-ol
CID 11370051
ethyl 2-(3-aminopropyl)pyridine-3-carboxylate
CID 70281941
5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
CID 115981865
N'-[(3-fluoro-2-pyridinyl)methyl]-N'-[(3-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 11347188
3-methyl-2-[4-(3H-pyrrol-4-yl)butyl]pyridine
CID 155763764

Frequently Asked Questions

What is the IUPAC name of bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid?
The IUPAC name of bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid (CID 173404341) is bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid.
What is the SMILES notation for bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid?
The canonical SMILES for bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid is Cc1cccnc1CCCCN.Cc1cccnc1CCCCN.O=S(=O)(O)O.
What is the InChIKey of bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid?
The InChIKey is DPSSZYVUMFRKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H16N2.H2O4S/c2*1-9-5-4-8-12-10(9)6-2-3-7-11;1-5(2,3)4/h2*4-5,8H,2-3,6-7,11H2,1H3;(H2,1,2,3,4).
What are the key properties of bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid?
bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid has a molecular weight of 426.58 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(3-methyl-2-pyridinyl)butan-1-amine);sulfuric acid is sourced from PubChem (CID 173404341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).