N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine

C11H22N2S — CID 131101379

IUPACN-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine
SMILESCC1CC(N(C)C2(CN)CCC2)CS1
InChIInChI=1S/C11H22N2S/c1-9-6-10(7-14-9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyXQTBTLDAYUGDAU-UHFFFAOYSA-N
MW214.38 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine

N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine (PubChem CID 131101379) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine
PubChem CID131101379
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine
SMILESCC1CC(N(C)C2(CN)CCC2)CS1
InChIInChI=1S/C11H22N2S/c1-9-6-10(7-14-9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3
InChIKeyXQTBTLDAYUGDAU-UHFFFAOYSA-N
XLogP1.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclobutyl]-N,1-dimethylpiperidin-4-amine
CID 79520724
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
N-[1-(aminomethyl)cyclobutyl]-N,4-dimethyloxolan-3-amine
CID 164650876
N-[1-(aminomethyl)cyclohexyl]-N-methyloxan-4-amine
CID 43610982
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
1-(aminomethyl)-N-cyclopropyl-N-methyl-4-propan-2-ylcycloheptan-1-amine
CID 65091585
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
1-(aminomethyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 105413969
N-[1-(aminomethyl)-3-methylcyclopentyl]-N,3-dimethylcyclohexan-1-amine
CID 64502176
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine (CID 131101379) is N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine is CC1CC(N(C)C2(CN)CCC2)CS1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine?
The InChIKey is XQTBTLDAYUGDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-9-6-10(7-14-9)13(2)11(8-12)4-3-5-11/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine?
N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine has a molecular weight of 214.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-N,5-dimethylthiolan-3-amine is sourced from PubChem (CID 131101379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).