N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine

C13H22N2S — CID 115698880

IUPACN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-13(2,3)6-7-14-8-11-9-15-12(16-11)10-4-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyHUIVUCUGLJPZDZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine (PubChem CID 115698880) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
PubChem CID115698880
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
SMILESCC(C)(C)CCNCc1cnc(C2CC2)s1
InChIInChI=1S/C13H22N2S/c1-13(2,3)6-7-14-8-11-9-15-12(16-11)10-4-5-10/h9-10,14H,4-8H2,1-3H3
InChIKeyHUIVUCUGLJPZDZ-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.55
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

N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 115699018
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 115697267
N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65412985
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115698941
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-ethylbutan-1-amine
CID 115698948
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methylpentan-2-amine
CID 115698956
3-[(2-cyclobutyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 115697275
1-(2-cyclopentyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 61281926
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
[2-(4-tert-butylcyclohexyl)-1,3-thiazol-5-yl]methanamine
CID 65415819
2-methyl-N-[[2-(3-methylcyclopentyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 65412814
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pentan-2-amine
CID 115698852

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine (CID 115698880) is N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine is CC(C)(C)CCNCc1cnc(C2CC2)s1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
The InChIKey is HUIVUCUGLJPZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-13(2,3)6-7-14-8-11-9-15-12(16-11)10-4-5-10/h9-10,14H,4-8H2,1-3H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine?
N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine has a molecular weight of 238.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 115698880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).