2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine

C14H32N2S — CID 114236764

IUPAC2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(C)CCCSC
InChIInChI=1S/C14H32N2S/c1-5-6-7-8-10-14(2,13-15)16(3)11-9-12-17-4/h5-13,15H2,1-4H3
InChIKeySZCDLTIBPXDFJF-UHFFFAOYSA-N
MW260.49 g/mol
LogP3.36
Rot. Bonds11

About 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine

2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine (PubChem CID 114236764) has the molecular formula C14H32N2S and a molecular weight of 260.49 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
PubChem CID114236764
Molecular FormulaC14H32N2S
Molecular Weight260.49 g/mol
Exact Mass260.23
IUPAC Name2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
SMILESCCCCCCC(C)(CN)N(C)CCCSC
InChIInChI=1S/C14H32N2S/c1-5-6-7-8-10-14(2,13-15)16(3)11-9-12-17-4/h5-13,15H2,1-4H3
InChIKeySZCDLTIBPXDFJF-UHFFFAOYSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
CID 115665583
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine (CID 114236764) is 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine is CCCCCCC(C)(CN)N(C)CCCSC.
What is the InChIKey of 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine?
The InChIKey is SZCDLTIBPXDFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2S/c1-5-6-7-8-10-14(2,13-15)16(3)11-9-12-17-4/h5-13,15H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine?
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine has a molecular weight of 260.49 g/mol, XLogP of 3.36, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine is sourced from PubChem (CID 114236764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).