3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine

C12H26N2S — CID 79950945

IUPAC3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
SMILESCC(C)CCN(C)C1(CN)CSC(C)C1
InChIInChI=1S/C12H26N2S/c1-10(2)5-6-14(4)12(8-13)7-11(3)15-9-12/h10-11H,5-9,13H2,1-4H3
InChIKeyXLUWWVMOXOKCDE-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.19
Rot. Bonds5

About 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine

3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine (PubChem CID 79950945) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
PubChem CID79950945
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
SMILESCC(C)CCN(C)C1(CN)CSC(C)C1
InChIInChI=1S/C12H26N2S/c1-10(2)5-6-14(4)12(8-13)7-11(3)15-9-12/h10-11H,5-9,13H2,1-4H3
InChIKeyXLUWWVMOXOKCDE-UHFFFAOYSA-N
XLogP2.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 79950113
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
1-(aminomethyl)-N-methyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 61426013
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
3-(aminomethyl)-N-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
3-(aminomethyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-5-methylthiolan-3-amine
CID 79950108
3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylthiolan-3-amine
CID 79949986
N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992122
1-(aminomethyl)-N,4,4-trimethyl-N-(3-methylbutyl)cycloheptan-1-amine
CID 65088221
1-(aminomethyl)-N,2-dimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 65045881
5-methyl-3-(3-methylbutyl)thiolan-3-ol
CID 79949218
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,3-dimethylbutan-1-amine
CID 115453726

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine (CID 79950945) is 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine is CC(C)CCN(C)C1(CN)CSC(C)C1.
What is the InChIKey of 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine?
The InChIKey is XLUWWVMOXOKCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-10(2)5-6-14(4)12(8-13)7-11(3)15-9-12/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine?
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine has a molecular weight of 230.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine is sourced from PubChem (CID 79950945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).