sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate

C9H21N2NaS2 — CID 175814248

IUPACsodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate
SMILESCC(C)CNCC(C)C.NC(=S)[S-].[Na+]
InChIInChI=1S/C8H19N.CH3NS2.Na/c1-7(2)5-9-6-8(3)4;2-1(3)4;/h7-9H,5-6H2,1-4H3;(H3,2,3,4);/q;;+1/p-1
InChIKeyWVIYDVRRCUVMEH-UHFFFAOYSA-M
MW244.40 g/mol
LogP-1.33
Rot. Bonds4

About sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate

sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate (PubChem CID 175814248) has the molecular formula C9H21N2NaS2 and a molecular weight of 244.40 g/mol. Its IUPAC name is sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate.

Molecular Properties

Compound Namesodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate
PubChem CID175814248
Molecular FormulaC9H21N2NaS2
Molecular Weight244.40 g/mol
Exact Mass244.10
IUPAC Namesodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate
SMILESCC(C)CNCC(C)C.NC(=S)[S-].[Na+]
InChIInChI=1S/C8H19N.CH3NS2.Na/c1-7(2)5-9-6-8(3)4;2-1(3)4;/h7-9H,5-6H2,1-4H3;(H3,2,3,4);/q;;+1/p-1
InChIKeyWVIYDVRRCUVMEH-UHFFFAOYSA-M
XLogP-1.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.40
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 175939227
CID 175939227
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
2-amino-3-(2-methylpropylamino)propanamide
CID 103231048
N-ethylethanamine;manganese(2+);dicarbamodithioate
CID 158567550
2,3-dihydroxy-4-(2-methylpropylamino)butanamide
CID 91040731
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
2-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 79001587
3,3-dimethyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 112555935
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
2-methyl-1-(2-methylpropoxy)propane;2-methyl-N-(2-methylpropyl)propan-1-amine
CID 167710729
1-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 62569750

Frequently Asked Questions

What is the IUPAC name of sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate?
The IUPAC name of sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate (CID 175814248) is sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate.
What is the SMILES notation for sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate?
The canonical SMILES for sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate is CC(C)CNCC(C)C.NC(=S)[S-].[Na+].
What is the InChIKey of sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate?
The InChIKey is WVIYDVRRCUVMEH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H19N.CH3NS2.Na/c1-7(2)5-9-6-8(3)4;2-1(3)4;/h7-9H,5-6H2,1-4H3;(H3,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate?
sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate has a molecular weight of 244.40 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methyl-N-(2-methylpropyl)propan-1-amine;carbamodithioate is sourced from PubChem (CID 175814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).