N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine

C16H28N2OS — CID 106676115

IUPACN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
SMILESCOC(C)(C)CC(NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2OS/c1-15(2,3)13-10-20-14(18-13)12(17-11-7-8-11)9-16(4,5)19-6/h10-12,17H,7-9H2,1-6H3
InChIKeyNHRIGVMHAAKERK-UHFFFAOYSA-N
MW296.48 g/mol
LogP4.05
Rot. Bonds6

About N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine (PubChem CID 106676115) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
PubChem CID106676115
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
SMILESCOC(C)(C)CC(NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H28N2OS/c1-15(2,3)13-10-20-14(18-13)12(17-11-7-8-11)9-16(4,5)19-6/h10-12,17H,7-9H2,1-6H3
InChIKeyNHRIGVMHAAKERK-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 106676094
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutyl]cyclopropanamine
CID 61334687
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 61346227
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
CID 107133309
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
CID 61335853
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345604
N-ethyl-3-methoxy-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-1-amine
CID 106676092
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826
N-[3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butyl]cyclopropanamine
CID 61335272
N-[(2R)-4-methoxy-4-methylpentan-2-yl]cyclopropanamine
CID 29013814

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine (CID 106676115) is N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine is COC(C)(C)CC(NC1CC1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine?
The InChIKey is NHRIGVMHAAKERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-15(2,3)13-10-20-14(18-13)12(17-11-7-8-11)9-16(4,5)19-6/h10-12,17H,7-9H2,1-6H3.
What are the key properties of N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine?
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine has a molecular weight of 296.48 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 106676115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).