2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine

C12H28N2S — CID 43207968

IUPAC2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine
SMILESCSCCCNCC(CC(C)C)N(C)C
InChIInChI=1S/C12H28N2S/c1-11(2)9-12(14(3)4)10-13-7-6-8-15-5/h11-13H,6-10H2,1-5H3
InChIKeyLOFAPQKHNRRDGC-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.31
Rot. Bonds9

About 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine (PubChem CID 43207968) has the molecular formula C12H28N2S and a molecular weight of 232.44 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine
PubChem CID43207968
Molecular FormulaC12H28N2S
Molecular Weight232.44 g/mol
Exact Mass232.20
IUPAC Name2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine
SMILESCSCCCNCC(CC(C)C)N(C)C
InChIInChI=1S/C12H28N2S/c1-11(2)9-12(14(3)4)10-13-7-6-8-15-5/h11-13H,6-10H2,1-5H3
InChIKeyLOFAPQKHNRRDGC-UHFFFAOYSA-N
XLogP2.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine 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

N-methyl-1-(1-methylsulfanylpropan-2-yl)-5-(trifluoromethyl)piperidin-3-amine
CID 134514969
1-N,1-N,4-trimethyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pentane-1,2-diamine
CID 116615474
N-methyl-1-(1-methyl-4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655873
N,N-dimethyl-1-(4-methylsulfanylpyrrolidin-2-yl)methanamine
CID 20655878
4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 21355442
N,N-dimethyl-4-(methylsulfanylmethyl)pyrrolidin-3-amine
CID 53910332
(2S)-4-methyl-N-(3-methylsulfanylpropyl)pentan-2-amine
CID 59084806
1-(4-Methyl-piperidin-1-ylmethyl)-3-methylsulfanyl-propylamine
CID 69831404
N'-[1-(thiolan-3-yl)ethyl]ethane-1,2-diamine
CID 70458048
N'-cyclopentyl-N'-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 116094935
N'-(cyclopentylmethyl)-N'-ethyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 118584893
N'-cyclopentyl-N-(2-methylsulfanylethyl)-N'-propan-2-ylethane-1,2-diamine
CID 118584896

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine (CID 43207968) is 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine is CSCCCNCC(CC(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine?
The InChIKey is LOFAPQKHNRRDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2S/c1-11(2)9-12(14(3)4)10-13-7-6-8-15-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine has a molecular weight of 232.44 g/mol, XLogP of 2.31, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-(3-methylsulfanylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 43207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).