N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine

C18H32N2S — CID 115979418

IUPACN-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cncs2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-14(2)20-12-18(10-16-11-19-13-21-16)8-6-15(7-9-18)17(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3
InChIKeyMNKMKFZUXKDOLQ-UHFFFAOYSA-N
MW308.53 g/mol
LogP4.91
Rot. Bonds5

About N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine

N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 115979418) has the molecular formula C18H32N2S and a molecular weight of 308.53 g/mol. Its IUPAC name is N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID115979418
Molecular FormulaC18H32N2S
Molecular Weight308.53 g/mol
Exact Mass308.23
IUPAC NameN-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cncs2)CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32N2S/c1-14(2)20-12-18(10-16-11-19-13-21-16)8-6-15(7-9-18)17(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3
InChIKeyMNKMKFZUXKDOLQ-UHFFFAOYSA-N
XLogP4.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.53
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112644052
N-[[3-(1,3-thiazol-5-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 114113294
4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carbonitrile
CID 112645121
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 112644082
2-methyl-N-[[1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 112644091
N-[[4-tert-butyl-1-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 63508058
[4-propan-2-yl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methanamine
CID 112645146
N-[[4-tert-butyl-1-(cyclopentylmethyl)cyclohexyl]methyl]propan-2-amine
CID 63508059
N-[(1-ethylcyclopentyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 115732815
2-[1-[(1,3-thiazol-5-ylmethylamino)methyl]cyclobutyl]ethanol
CID 115733110
[3-ethyl-1-(1,3-thiazol-5-ylmethyl)cyclopentyl]methanamine
CID 112645149
N-[1-(2,2-dimethylcyclopentyl)-2-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 107190647

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine (CID 115979418) is N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine is CC(C)NCC1(Cc2cncs2)CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is MNKMKFZUXKDOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2S/c1-14(2)20-12-18(10-16-11-19-13-21-16)8-6-15(7-9-18)17(3,4)5/h11,13-15,20H,6-10,12H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 308.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-1-(1,3-thiazol-5-ylmethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 115979418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).