N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride

C9H21ClN2S — CID 90668660

IUPACN'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride
SMILESCC(C)(C)C/N=C(/N)CCCS.Cl
InChIInChI=1S/C9H20N2S.ClH/c1-9(2,3)7-11-8(10)5-4-6-12;/h12H,4-7H2,1-3H3,(H2,10,11);1H
InChIKeyMVVDSFIMTJPUCA-UHFFFAOYSA-N
MW224.80 g/mol
LogP2.52
Rot. Bonds4

About N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride

N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride (PubChem CID 90668660) has the molecular formula C9H21ClN2S and a molecular weight of 224.80 g/mol. Its IUPAC name is N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride
PubChem CID90668660
Molecular FormulaC9H21ClN2S
Molecular Weight224.80 g/mol
Exact Mass224.11
IUPAC NameN'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride
SMILESCC(C)(C)C/N=C(/N)CCCS.Cl
InChIInChI=1S/C9H20N2S.ClH/c1-9(2,3)7-11-8(10)5-4-6-12;/h12H,4-7H2,1-3H3,(H2,10,11);1H
InChIKeyMVVDSFIMTJPUCA-UHFFFAOYSA-N
XLogP2.52
TPSA38.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.80
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-tert-butyl-3-sulfanylpropanimidamide
CID 146352417
N',5,5-trimethylhexanimidamide
CID 59463982
2-(3-sulfanylpropyl)guanidine;hydrochloride
CID 3028498
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
N'-ethyl-4-methoxybutanimidamide
CID 65093895
N'-(2-methoxy-2-methylpropyl)propanimidamide
CID 104766080
3-(1-aminopropylideneamino)-N,2,2-trimethylpropanamide
CID 106280332
9,9-dimethyldecane-1-thiol
CID 522495
1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
CID 141081453
4-(dimethylamino)-N'-hydroxybutanimidamide
CID 74314081
5-[2,2-dimethylpropyl(methyl)amino]-N'-hydroxypentanimidamide
CID 76928038

Frequently Asked Questions

What is the IUPAC name of N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride?
The IUPAC name of N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride (CID 90668660) is N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride.
What is the SMILES notation for N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride?
The canonical SMILES for N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride is CC(C)(C)C/N=C(/N)CCCS.Cl.
What is the InChIKey of N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride?
The InChIKey is MVVDSFIMTJPUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2S.ClH/c1-9(2,3)7-11-8(10)5-4-6-12;/h12H,4-7H2,1-3H3,(H2,10,11);1H.
What are the key properties of N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride?
N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride has a molecular weight of 224.80 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-dimethylpropyl)-4-sulfanylbutanimidamide;hydrochloride is sourced from PubChem (CID 90668660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).