1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

C15H25N3S — CID 64624835

IUPAC1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1cscn1)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C15H25N3S/c1-18(8-14-9-19-11-17-14)15(10-16)6-2-3-13(7-15)12-4-5-12/h9,11-13H,2-8,10,16H2,1H3
InChIKeyMFRGRVYYAFANLR-UHFFFAOYSA-N
MW279.45 g/mol
LogP2.87
Rot. Bonds5

About 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (PubChem CID 64624835) has the molecular formula C15H25N3S and a molecular weight of 279.45 g/mol. Its IUPAC name is 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
PubChem CID64624835
Molecular FormulaC15H25N3S
Molecular Weight279.45 g/mol
Exact Mass279.18
IUPAC Name1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1cscn1)C1(CN)CCCC(C2CC2)C1
InChIInChI=1S/C15H25N3S/c1-18(8-14-9-19-11-17-14)15(10-16)6-2-3-13(7-15)12-4-5-12/h9,11-13H,2-8,10,16H2,1H3
InChIKeyMFRGRVYYAFANLR-UHFFFAOYSA-N
XLogP2.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-3-methoxy-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 106821948
4-(aminomethyl)-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)azepan-4-amine
CID 65075665
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64623184
4-(aminomethyl)-N-methyl-1,1-dioxo-N-(1,3-thiazol-4-ylmethyl)thian-4-amine
CID 55013447
1-(aminomethyl)-N-[(2-bromophenyl)methyl]-3-cyclopropyl-N-methylcyclohexan-1-amine
CID 64624223
3-(aminomethyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55013908
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
trans-(1R,2R)-2-[methyl(1,3-thiazol-4-ylmethyl)amino]cyclopentan-1-ol
CID 102734625
2,2-dimethyl-6-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 79849133
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-2-fluoro-N-methylaniline
CID 64622975
1-(aminomethyl)-N-cyclopentyl-3-cyclopropyl-N-ethylcyclohexan-1-amine
CID 64624828
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine (CID 64624835) is 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is CN(Cc1cscn1)C1(CN)CCCC(C2CC2)C1.
What is the InChIKey of 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is MFRGRVYYAFANLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3S/c1-18(8-14-9-19-11-17-14)15(10-16)6-2-3-13(7-15)12-4-5-12/h9,11-13H,2-8,10,16H2,1H3.
What are the key properties of 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64624835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).