N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine

C12H24N2S — CID 81168855

IUPACN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(CN)CCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-3-8-15-9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeyORMKXNNMMZZQHH-UHFFFAOYSA-N
MW228.40 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine (PubChem CID 81168855) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
PubChem CID81168855
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC NameN-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
SMILESCN(CCC1(CN)CCC1)C1CCSC1
InChIInChI=1S/C12H24N2S/c1-14(11-3-8-15-9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3
InChIKeyORMKXNNMMZZQHH-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylcyclohexanamine
CID 81169270
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-(2-methylpropyl)cyclopropanamine
CID 81170358
N-(3-chloropropyl)-N-methylthiolan-3-amine
CID 61289342
2-[1-(aminomethyl)cyclobutyl]-N-(cyclobutylmethyl)-N-methylethanamine
CID 81171568
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
CID 55051725
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 115452254
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
CID 80705422
N-[[4-(aminomethyl)phenyl]methyl]-N-methylthiolan-3-amine
CID 43296812
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N,2-dimethylbutan-2-amine
CID 81169937

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine (CID 81168855) is N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine is CN(CCC1(CN)CCC1)C1CCSC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine?
The InChIKey is ORMKXNNMMZZQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-14(11-3-8-15-9-11)7-6-12(10-13)4-2-5-12/h11H,2-10,13H2,1H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine?
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine has a molecular weight of 228.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 81168855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).