2,3-dimethylundecan-2-amine;sulfuric acid

C13H31NO4S — CID 170436301

IUPAC2,3-dimethylundecan-2-amine;sulfuric acid
SMILESCCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C13H29N.H2O4S/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-5(2,3)4/h12H,5-11,14H2,1-4H3;(H2,1,2,3,4)
InChIKeyZPMHHYJVDQCPFW-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.46
Rot. Bonds8

About 2,3-dimethylundecan-2-amine;sulfuric acid

2,3-dimethylundecan-2-amine;sulfuric acid (PubChem CID 170436301) has the molecular formula C13H31NO4S and a molecular weight of 297.46 g/mol. Its IUPAC name is 2,3-dimethylundecan-2-amine;sulfuric acid.

Molecular Properties

Compound Name2,3-dimethylundecan-2-amine;sulfuric acid
PubChem CID170436301
Molecular FormulaC13H31NO4S
Molecular Weight297.46 g/mol
Exact Mass297.20
IUPAC Name2,3-dimethylundecan-2-amine;sulfuric acid
SMILESCCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O
InChIInChI=1S/C13H29N.H2O4S/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-5(2,3)4/h12H,5-11,14H2,1-4H3;(H2,1,2,3,4)
InChIKeyZPMHHYJVDQCPFW-UHFFFAOYSA-N
XLogP3.46
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.46
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'}

Analyze 2,3-dimethylundecan-2-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

2,3-dimethylhexadecan-2-amine
CID 87479269
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
acetic acid;2,3-dimethylundecan-2-amine
CID 173175122
2,3-dimethyldecan-2-amine;propanoic acid
CID 173175223
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
7,9-dimethylpentadecane-8,8-disulfonic acid
CID 89439516
2-amino-3-methylheptadecan-2-ol
CID 88695872
3-methylheptadecane-2,2-diamine
CID 141040528
pentacosan-13-amine;sulfuric acid
CID 135341364
heptane;propan-2-ol;sulfuric acid
CID 87329461
sulfuric acid;tridecane
CID 91872702

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylundecan-2-amine;sulfuric acid?
The IUPAC name of 2,3-dimethylundecan-2-amine;sulfuric acid (CID 170436301) is 2,3-dimethylundecan-2-amine;sulfuric acid.
What is the SMILES notation for 2,3-dimethylundecan-2-amine;sulfuric acid?
The canonical SMILES for 2,3-dimethylundecan-2-amine;sulfuric acid is CCCCCCCCC(C)C(C)(C)N.O=S(=O)(O)O.
What is the InChIKey of 2,3-dimethylundecan-2-amine;sulfuric acid?
The InChIKey is ZPMHHYJVDQCPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.H2O4S/c1-5-6-7-8-9-10-11-12(2)13(3,4)14;1-5(2,3)4/h12H,5-11,14H2,1-4H3;(H2,1,2,3,4).
What are the key properties of 2,3-dimethylundecan-2-amine;sulfuric acid?
2,3-dimethylundecan-2-amine;sulfuric acid has a molecular weight of 297.46 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylundecan-2-amine;sulfuric acid is sourced from PubChem (CID 170436301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).