1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine

C10H25N3S — CID 123205452

IUPAC1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine
SMILESCCC(CC)N(C)C(N)=NS(C)(C)C
InChIInChI=1S/C10H25N3S/c1-7-9(8-2)13(3)10(11)12-14(4,5)6/h9H,7-8H2,1-6H3,(H2,11,12)
InChIKeyOLWKNMVZHOZJTI-UHFFFAOYSA-N
MW219.40 g/mol
LogP2.03
Rot. Bonds4

About 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine

1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine (PubChem CID 123205452) has the molecular formula C10H25N3S and a molecular weight of 219.40 g/mol. Its IUPAC name is 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine
PubChem CID123205452
Molecular FormulaC10H25N3S
Molecular Weight219.40 g/mol
Exact Mass219.18
IUPAC Name1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine
SMILESCCC(CC)N(C)C(N)=NS(C)(C)C
InChIInChI=1S/C10H25N3S/c1-7-9(8-2)13(3)10(11)12-14(4,5)6/h9H,7-8H2,1-6H3,(H2,11,12)
InChIKeyOLWKNMVZHOZJTI-UHFFFAOYSA-N
XLogP2.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-cyclohexyl-1-methyl-1-pentan-3-ylguanidine
CID 62362276
2-hydroxy-1-methyl-1-(1-methylsulfanylbutan-2-yl)guanidine
CID 103955307
2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
(3Z)-3-amino-3-hydroxyimino-N-methyl-N-pentan-3-ylpropanamide
CID 43571543
N'-hydroxy-2-[methyl(pentan-3-yl)amino]butanimidamide
CID 76915773
1-butan-2-yl-1-methyl-2-propylguanidine
CID 62359367
3-amino-N-methyl-N-pentan-3-yl-3-sulfanylidenepropanamide
CID 43571357
1-(1-aminobutan-2-yl)-1-methylurea
CID 82502509
3-amino-1-methyl-1-pentan-3-ylurea
CID 43571547
N-(1-aminobutan-2-yl)-N-methylprop-2-ynamide
CID 82502636
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
(2R)-2-amino-N,3-dimethyl-N-pentan-3-ylbutanamide
CID 79011778

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The IUPAC name of 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine (CID 123205452) is 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine.
What is the SMILES notation for 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The canonical SMILES for 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine is CCC(CC)N(C)C(N)=NS(C)(C)C.
What is the InChIKey of 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
The InChIKey is OLWKNMVZHOZJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3S/c1-7-9(8-2)13(3)10(11)12-14(4,5)6/h9H,7-8H2,1-6H3,(H2,11,12).
What are the key properties of 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine?
1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine has a molecular weight of 219.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-pentan-3-yl-2-(trimethyl-λ4-sulfanyl)guanidine is sourced from PubChem (CID 123205452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).