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

C17H30N2S — CID 80558537

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
SMILESCCCCCC(C)(NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H30N2S/c1-6-7-8-11-17(5,19-13-9-10-13)15-18-14(12-20-15)16(2,3)4/h12-13,19H,6-11H2,1-5H3
InChIKeyWBLPHMPKVWSSSD-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.99
Rot. Bonds7

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

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine (PubChem CID 80558537) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
PubChem CID80558537
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine
SMILESCCCCCC(C)(NC1CC1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C17H30N2S/c1-6-7-8-11-17(5,19-13-9-10-13)15-18-14(12-20-15)16(2,3)4/h12-13,19H,6-11H2,1-5H3
InChIKeyWBLPHMPKVWSSSD-UHFFFAOYSA-N
XLogP4.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butyl-1,3-thiazol-2-yl)-N-propan-2-ylheptan-2-amine
CID 80558828
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclohexylethyl]cyclopropanamine
CID 63405268
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylpentan-2-amine
CID 61332734
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylbutan-2-amine
CID 61332933
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-ethylethanamine
CID 62634123
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61331516
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 80558853
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopropyl-N-methylpropan-1-amine
CID 64918893
N-ethyl-2-(4-methyl-1,3-thiazol-2-yl)octan-2-amine
CID 61330206
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutyl]cyclopropanamine
CID 61334687
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(cyclopropylamino)-2-methylpropan-2-ol
CID 79817647
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thian-3-amine
CID 115882106

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine (CID 80558537) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine is CCCCCC(C)(NC1CC1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine?
The InChIKey is WBLPHMPKVWSSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-7-8-11-17(5,19-13-9-10-13)15-18-14(12-20-15)16(2,3)4/h12-13,19H,6-11H2,1-5H3.
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine has a molecular weight of 294.51 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)heptan-2-yl]cyclopropanamine is sourced from PubChem (CID 80558537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).