2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid

C14H33N5O4S — CID 86583226

IUPAC2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(/N=C(N)N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C14H31N5.H2O4S/c1-9(2)18(10(3)4)13(15)17-14(16)19(11(5)6)12(7)8;1-5(2,3)4/h9-12H,1-8H3,(H3,15,16,17);(H2,1,2,3,4)
InChIKeyOSFPAJBFVIQVFO-UHFFFAOYSA-N
MW367.52 g/mol
LogP1.82
Rot. Bonds4

About 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid

2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid (PubChem CID 86583226) has the molecular formula C14H33N5O4S and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid.

Molecular Properties

Compound Name2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
PubChem CID86583226
Molecular FormulaC14H33N5O4S
Molecular Weight367.52 g/mol
Exact Mass367.23
IUPAC Name2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid
SMILESO=S(=O)(O)O.[H]/N=C(/N=C(N)N(C(C)C)C(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C14H31N5.H2O4S/c1-9(2)18(10(3)4)13(15)17-14(16)19(11(5)6)12(7)8;1-5(2,3)4/h9-12H,1-8H3,(H3,15,16,17);(H2,1,2,3,4)
InChIKeyOSFPAJBFVIQVFO-UHFFFAOYSA-N
XLogP1.82
TPSA143.31 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-[(3-amino-3-imino-2-methylpropyl)diazenyl]-2-methylpropanimidamide;sulfuric acid
CID 87274972
1-(cyclopropylmethyl)-3-(diaminomethylidene)-1-propan-2-ylguanidine
CID 83032026
sulfuric acid;tetramethylphosphanium
CID 87132357
3-(diaminomethylidene)-1,1-dimethylguanidine;2-hydroxypropanoic acid
CID 46892505
copper;bis([N-(diaminomethylidene)carbamimidoyl]-methylazanide);sulfuric acid
CID 138396656
2-(3-amino-2-iminoimidazolidin-1-yl)-1,1-di(propan-2-yl)guanidine
CID 57115864
2-amino-N-(diaminomethylidene)propanimidamide
CID 176533590
2-propan-2-ylguanidine;sulfuric acid
CID 11644095
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
carbamimidate;sulfuric acid;tetrakis(hydroxymethyl)phosphanium
CID 138400233
[N,N-di(propan-2-yl)carbamimidoyl]azanide;zinc
CID 175721747
guanidine;sulfuric acid
CID 159331300

Frequently Asked Questions

What is the IUPAC name of 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid?
The IUPAC name of 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid (CID 86583226) is 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid.
What is the SMILES notation for 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid?
The canonical SMILES for 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid is O=S(=O)(O)O.[H]/N=C(/N=C(N)N(C(C)C)C(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid?
The InChIKey is OSFPAJBFVIQVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N5.H2O4S/c1-9(2)18(10(3)4)13(15)17-14(16)19(11(5)6)12(7)8;1-5(2,3)4/h9-12H,1-8H3,(H3,15,16,17);(H2,1,2,3,4).
What are the key properties of 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid?
2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid has a molecular weight of 367.52 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N,N-di(propan-2-yl)carbamimidoyl]-1,1-di(propan-2-yl)guanidine;sulfuric acid is sourced from PubChem (CID 86583226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).