4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine

C12H26N2OS — CID 81059213

IUPAC4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
SMILESCC(C)OCCN(C)C1(CN)CCSCC1
InChIInChI=1S/C12H26N2OS/c1-11(2)15-7-6-14(3)12(10-13)4-8-16-9-5-12/h11H,4-10,13H2,1-3H3
InChIKeyLGIRTLAMDOGENZ-UHFFFAOYSA-N
MW246.42 g/mol
LogP1.57
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine

4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine (PubChem CID 81059213) has the molecular formula C12H26N2OS and a molecular weight of 246.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
PubChem CID81059213
Molecular FormulaC12H26N2OS
Molecular Weight246.42 g/mol
Exact Mass246.18
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine
SMILESCC(C)OCCN(C)C1(CN)CCSCC1
InChIInChI=1S/C12H26N2OS/c1-11(2)15-7-6-14(3)12(10-13)4-8-16-9-5-12/h11H,4-10,13H2,1-3H3
InChIKeyLGIRTLAMDOGENZ-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-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

N'-[4-(aminomethyl)thian-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63693232
1-(aminomethyl)-N,4,4-trimethyl-N-(2-propan-2-yloxyethyl)cycloheptan-1-amine
CID 81059110
1-(aminomethyl)-N,3,3,5-tetramethyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 81059715
3-(aminomethyl)-N,2-dimethyl-N-(2-propan-2-yloxyethyl)thian-3-amine
CID 81059407
1-(aminomethyl)-N-(2-propan-2-yloxyethyl)-N-propylcyclopentan-1-amine
CID 62009346
1-(aminomethyl)-N-(2-methoxyethyl)-N-methylcyclopentan-1-amine
CID 61427409
1-(aminomethyl)-N-methyl-N-[2-(2-methylpropoxy)ethyl]cyclohexan-1-amine
CID 106450883
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
4-(aminomethyl)-N-[(4-methoxyphenyl)methyl]-N-methylthian-4-amine
CID 54981505
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-3-propan-2-ylcyclobutan-1-amine
CID 103562700

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine (CID 81059213) is 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine is CC(C)OCCN(C)C1(CN)CCSCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine?
The InChIKey is LGIRTLAMDOGENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2OS/c1-11(2)15-7-6-14(3)12(10-13)4-8-16-9-5-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine?
4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine has a molecular weight of 246.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-propan-2-yloxyethyl)thian-4-amine is sourced from PubChem (CID 81059213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).