N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine

C12H24N2S — CID 107132507

IUPACN,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCC2CCSC2)CCC1
InChIInChI=1S/C12H24N2S/c1-14(2)12(5-3-6-12)10-13-8-11-4-7-15-9-11/h11,13H,3-10H2,1-2H3
InChIKeyYJNCQOLSNYSDJC-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.81
Rot. Bonds5

About N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine

N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine (PubChem CID 107132507) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
PubChem CID107132507
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine
SMILESCN(C)C1(CNCC2CCSC2)CCC1
InChIInChI=1S/C12H24N2S/c1-14(2)12(5-3-6-12)10-13-8-11-4-7-15-9-11/h11,13H,3-10H2,1-2H3
InChIKeyYJNCQOLSNYSDJC-UHFFFAOYSA-N
XLogP1.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methoxycyclobutyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166780
1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 107132476
1-[(thiolan-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 107132168
N,N-dimethyl-1-[[(1-methylpiperidin-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 62654686
[1-[(thiolan-3-ylmethylamino)methyl]cyclopropyl]methanol
CID 107132321
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
1,1-dimethyl-2-(thiolan-3-ylmethyl)hydrazine
CID 107132348
N,N-dimethyl-1-[[(5-methyloxolan-2-yl)methylamino]methyl]cyclobutan-1-amine
CID 105415650
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethylthian-3-amine
CID 83107348

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine (CID 107132507) is N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine is CN(C)C1(CNCC2CCSC2)CCC1.
What is the InChIKey of N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine?
The InChIKey is YJNCQOLSNYSDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(2)12(5-3-6-12)10-13-8-11-4-7-15-9-11/h11,13H,3-10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine?
N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine has a molecular weight of 228.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(thiolan-3-ylmethylamino)methyl]cyclobutan-1-amine is sourced from PubChem (CID 107132507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).