3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine

C14H26N2S — CID 81033944

IUPAC3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCc1nc(CC(C)(C)CCNCC(C)C)cs1
InChIInChI=1S/C14H26N2S/c1-11(2)9-15-7-6-14(4,5)8-13-10-17-12(3)16-13/h10-11,15H,6-9H2,1-5H3
InChIKeyMOWRGOYQTAQZOH-UHFFFAOYSA-N
MW254.44 g/mol
LogP3.66
Rot. Bonds7

About 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine

3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (PubChem CID 81033944) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
PubChem CID81033944
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
SMILESCc1nc(CC(C)(C)CCNCC(C)C)cs1
InChIInChI=1S/C14H26N2S/c1-11(2)9-15-7-6-14(4,5)8-13-10-17-12(3)16-13/h10-11,15H,6-9H2,1-5H3
InChIKeyMOWRGOYQTAQZOH-UHFFFAOYSA-N
XLogP3.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.66
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-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 60760021
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
3,3-dimethyl-N-(2-methylpropyl)-4-(1,3-thiazol-5-yl)butan-1-amine
CID 112645570
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912
N-(2-methoxyethyl)-2,3-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 83151789
4-(4-fluorophenyl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034537
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]triazol-4-yl]methyl]propan-1-amine
CID 66193055
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
2,2-difluoro-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 106045224
4-(1-cyclopentylpyrazol-3-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81026786
2-chloro-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pentan-1-amine
CID 107156018
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
CID 115654712

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine (CID 81033944) is 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is Cc1nc(CC(C)(C)CCNCC(C)C)cs1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
The InChIKey is MOWRGOYQTAQZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-11(2)9-15-7-6-14(4,5)8-13-10-17-12(3)16-13/h10-11,15H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine has a molecular weight of 254.44 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)-4-(2-methyl-1,3-thiazol-4-yl)butan-1-amine is sourced from PubChem (CID 81033944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).