N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine

C17H32N2S — CID 105015117

IUPACN-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1nccs1)NCCC
InChIInChI=1S/C17H32N2S/c1-3-5-6-7-8-9-10-11-16(18-12-4-2)15-17-19-13-14-20-17/h13-14,16,18H,3-12,15H2,1-2H3
InChIKeyKCFDNDLPJJWAIU-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.19
Rot. Bonds13

About N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine

N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine (PubChem CID 105015117) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
PubChem CID105015117
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine
SMILESCCCCCCCCCC(Cc1nccs1)NCCC
InChIInChI=1S/C17H32N2S/c1-3-5-6-7-8-9-10-11-16(18-12-4-2)15-17-19-13-14-20-17/h13-14,16,18H,3-12,15H2,1-2H3
InChIKeyKCFDNDLPJJWAIU-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.19
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-propyl-1-(1,3-thiazol-2-yl)decan-2-amine
CID 105014908
1-(1,3-thiazol-2-yl)undecan-2-ylhydrazine
CID 105324540
N-methyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015264
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
4-(furan-2-yl)-N-propyl-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105169314
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
4,6,6-trimethyl-N-propyl-1-(1,3-thiazol-2-yl)heptan-2-amine
CID 105015268
1-(2-fluorophenyl)-N-propyl-3-(1,3-thiazol-2-yl)propan-2-amine
CID 79824475
1-(2-methyl-1,3-thiazol-4-yl)-N-propylheptan-2-amine
CID 55129851
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
3,4-dimethyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105014894

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine?
The IUPAC name of N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine (CID 105015117) is N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine.
What is the SMILES notation for N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine?
The canonical SMILES for N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine is CCCCCCCCCC(Cc1nccs1)NCCC.
What is the InChIKey of N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine?
The InChIKey is KCFDNDLPJJWAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-3-5-6-7-8-9-10-11-16(18-12-4-2)15-17-19-13-14-20-17/h13-14,16,18H,3-12,15H2,1-2H3.
What are the key properties of N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine?
N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine has a molecular weight of 296.52 g/mol, XLogP of 5.19, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3-thiazol-2-yl)undecan-2-amine is sourced from PubChem (CID 105015117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).