N-(1,3-thiazol-2-ylmethyl)undecan-6-amine

C15H28N2S — CID 61285231

IUPACN-(1,3-thiazol-2-ylmethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-7-9-14(10-8-6-4-2)17-13-15-16-11-12-18-15/h11-12,14,17H,3-10,13H2,1-2H3
InChIKeyXMQAAAFLQLFJCF-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.76
Rot. Bonds11

About N-(1,3-thiazol-2-ylmethyl)undecan-6-amine

N-(1,3-thiazol-2-ylmethyl)undecan-6-amine (PubChem CID 61285231) has the molecular formula C15H28N2S and a molecular weight of 268.47 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)undecan-6-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)undecan-6-amine
PubChem CID61285231
Molecular FormulaC15H28N2S
Molecular Weight268.47 g/mol
Exact Mass268.20
IUPAC NameN-(1,3-thiazol-2-ylmethyl)undecan-6-amine
SMILESCCCCCC(CCCCC)NCc1nccs1
InChIInChI=1S/C15H28N2S/c1-3-5-7-9-14(10-8-6-4-2)17-13-15-16-11-12-18-15/h11-12,14,17H,3-10,13H2,1-2H3
InChIKeyXMQAAAFLQLFJCF-UHFFFAOYSA-N
XLogP4.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.76
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-(1,3-thiazol-2-ylmethyl)pentan-3-amine
CID 46784226
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
CID 105015117
N-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
3-ethyl-N-(1,3-thiazol-2-ylmethyl)pentan-2-amine
CID 63843307
4-chloro-N-(1,3-thiazol-2-ylmethyl)butan-2-amine
CID 83186501
N-[(1-methylimidazol-2-yl)methyl]undecan-6-amine
CID 63292288
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
CID 114078531
2-tetradecan-7-yl-1,3-thiazole
CID 130410551

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)undecan-6-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)undecan-6-amine (CID 61285231) is N-(1,3-thiazol-2-ylmethyl)undecan-6-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)undecan-6-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)undecan-6-amine is CCCCCC(CCCCC)NCc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)undecan-6-amine?
The InChIKey is XMQAAAFLQLFJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2S/c1-3-5-7-9-14(10-8-6-4-2)17-13-15-16-11-12-18-15/h11-12,14,17H,3-10,13H2,1-2H3.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)undecan-6-amine?
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine has a molecular weight of 268.47 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)undecan-6-amine is sourced from PubChem (CID 61285231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).