N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine

C18H34N2S — CID 43769276

IUPACN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)CCCC(C)C
InChIInChI=1S/C18H34N2S/c1-12(2)10-9-11-13(3)19-14(4)16-15(5)20-17(21-16)18(6,7)8/h12-14,19H,9-11H2,1-8H3
InChIKeyUTKVABWNMFMPNI-UHFFFAOYSA-N
MW310.55 g/mol
LogP5.61
Rot. Bonds7

About N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine (PubChem CID 43769276) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
PubChem CID43769276
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC NameN-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine
SMILESCc1nc(C(C)(C)C)sc1C(C)NC(C)CCCC(C)C
InChIInChI=1S/C18H34N2S/c1-12(2)10-9-11-13(3)19-14(4)16-15(5)20-17(21-16)18(6,7)8/h12-14,19H,9-11H2,1-8H3
InChIKeyUTKVABWNMFMPNI-UHFFFAOYSA-N
XLogP5.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]butan-2-amine
CID 43756395
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 104860317
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61475019
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-2-methylpentan-3-amine
CID 61468852
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methylpropoxy)ethanamine
CID 82711538
(2S)-N-[(1R)-1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 97321988
2-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]ethanol
CID 43774132
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-ethoxy-3-methylbutan-2-amine
CID 103271625
4-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethylamino]butanamide
CID 60865573
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 43763215
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756145

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine?
The IUPAC name of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine (CID 43769276) is N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine.
What is the SMILES notation for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine?
The canonical SMILES for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine is Cc1nc(C(C)(C)C)sc1C(C)NC(C)CCCC(C)C.
What is the InChIKey of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine?
The InChIKey is UTKVABWNMFMPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-12(2)10-9-11-13(3)19-14(4)16-15(5)20-17(21-16)18(6,7)8/h12-14,19H,9-11H2,1-8H3.
What are the key properties of N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine?
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine has a molecular weight of 310.55 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-6-methylheptan-2-amine is sourced from PubChem (CID 43769276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).