2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C12H21N3S — CID 81170467

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2(CN)CCC2)s1
InChIInChI=1S/C12H21N3S/c1-10-15-8-11(16-10)7-14-6-5-12(9-13)3-2-4-12/h8,14H,2-7,9,13H2,1H3
InChIKeySPOBNWDBXJAWRC-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.06
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine

2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 81170467) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID81170467
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncc(CNCCC2(CN)CCC2)s1
InChIInChI=1S/C12H21N3S/c1-10-15-8-11(16-10)7-14-6-5-12(9-13)3-2-4-12/h8,14H,2-7,9,13H2,1H3
InChIKeySPOBNWDBXJAWRC-UHFFFAOYSA-N
XLogP2.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 113310210
2-[1-(aminomethyl)cyclobutyl]-N-[(4,5-dimethylthiophen-2-yl)methyl]ethanamine
CID 81171143
2-[1-(aminomethyl)cyclobutyl]-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 106012080
N'-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,4-diamine
CID 60937078
1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-ol
CID 63931851
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methyl-1,3-thiazol-5-yl)methanamine
CID 115757779
N,N-dimethyl-1-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 115281055
[4,4-dimethyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65389989
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclohexyl]methanamine
CID 65393632
3-methyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butane-1,3-diamine
CID 64677698
1-(2-methyl-1,3-thiazol-5-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 80528702
[3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]cyclobutyl]methanamine
CID 164652954

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 81170467) is 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncc(CNCCC2(CN)CCC2)s1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is SPOBNWDBXJAWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-10-15-8-11(16-10)7-14-6-5-12(9-13)3-2-4-12/h8,14H,2-7,9,13H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 239.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81170467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).