1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine

C18H34N2S — CID 105138128

IUPAC1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)c1csc(C)n1
InChIInChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-13-17(19-14-5-2)18-15-21-16(3)20-18/h15,17,19H,4-14H2,1-3H3
InChIKeyUOMMSXFPBXOWIK-UHFFFAOYSA-N
MW310.55 g/mol
LogP6.02
Rot. Bonds13

About 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine

1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine (PubChem CID 105138128) has the molecular formula C18H34N2S and a molecular weight of 310.55 g/mol. Its IUPAC name is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
PubChem CID105138128
Molecular FormulaC18H34N2S
Molecular Weight310.55 g/mol
Exact Mass310.24
IUPAC Name1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine
SMILESCCCCCCCCCCC(NCCC)c1csc(C)n1
InChIInChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-13-17(19-14-5-2)18-15-21-16(3)20-18/h15,17,19H,4-14H2,1-3H3
InChIKeyUOMMSXFPBXOWIK-UHFFFAOYSA-N
XLogP6.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.55
LogP ≤ 56.02
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

1-(2-methyl-1,3-thiazol-4-yl)-N-propylpropan-1-amine
CID 105078510
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)pentan-1-amine
CID 105125168
3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678
1-(2-methyl-1,3-thiazol-4-yl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 105147754
1-(2-methyl-1,3-thiazol-4-yl)heptan-1-amine
CID 105126219
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
N-ethyl-4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113033
N-[2-(2-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105087377
1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-propylheptan-1-amine
CID 61336142
1-(3-chloro-4-methylthiophen-2-yl)-N-propylnonan-1-amine
CID 103405538

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine?
The IUPAC name of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine (CID 105138128) is 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine.
What is the SMILES notation for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine?
The canonical SMILES for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine is CCCCCCCCCCC(NCCC)c1csc(C)n1.
What is the InChIKey of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine?
The InChIKey is UOMMSXFPBXOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2S/c1-4-6-7-8-9-10-11-12-13-17(19-14-5-2)18-15-21-16(3)20-18/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine?
1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine has a molecular weight of 310.55 g/mol, XLogP of 6.02, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-thiazol-4-yl)-N-propylundecan-1-amine is sourced from PubChem (CID 105138128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).