2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine

C13H29NS2 — CID 21060251

IUPAC2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCN(CCCSC)CC(C)(C)C
InChIInChI=1S/C13H29NS2/c1-13(2,3)12-14(8-6-10-15-4)9-7-11-16-5/h6-12H2,1-5H3
InChIKeyQKJNXRQFSBZTBQ-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.84
Rot. Bonds9

About 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine

2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine (PubChem CID 21060251) has the molecular formula C13H29NS2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
PubChem CID21060251
Molecular FormulaC13H29NS2
Molecular Weight263.52 g/mol
Exact Mass263.17
IUPAC Name2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
SMILESCSCCCN(CCCSC)CC(C)(C)C
InChIInChI=1S/C13H29NS2/c1-13(2,3)12-14(8-6-10-15-4)9-7-11-16-5/h6-12H2,1-5H3
InChIKeyQKJNXRQFSBZTBQ-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine 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

3-(Diethylamino)propyl thiocyanate
CID 44385370
Isobutyl 2-diethylaminoethyl sulfide
CID 58756929
Propyl dipropyldithiocarbamate
CID 519629
3-ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine
CID 373738
3-methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine
CID 373739
N,N-dimethyl-2,4-bis(methylsulfanyl)butan-1-amine
CID 14948466
1-Propanaminium, 3-(dimethylsulfonio)-N,N,N-trimethyl-
CID 30930
Diethylmethyl(3-(methylthio)propyl)ammonium iodide
CID 21150095
S-Butyl-N,N-dipropyldithiocarbamate
CID 524152
Bcsufisimywmar-uhfffaoysa-
CID 13082850
2-(2,2-dimethylpropylsulfanyl)-N,N-diethylethanamine
CID 21060470
2-(2,2-dimethylpropylsulfanyl)-N,N-dimethylethanamine
CID 21060472

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine (CID 21060251) is 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine is CSCCCN(CCCSC)CC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine?
The InChIKey is QKJNXRQFSBZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NS2/c1-13(2,3)12-14(8-6-10-15-4)9-7-11-16-5/h6-12H2,1-5H3.
What are the key properties of 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine?
2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine has a molecular weight of 263.52 g/mol, XLogP of 3.84, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine is sourced from PubChem (CID 21060251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).