5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine

C14H26N2S — CID 61333820

IUPAC5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine
SMILESCCC(C)CC(CC)(NC(C)C)c1nccs1
InChIInChI=1S/C14H26N2S/c1-6-12(5)10-14(7-2,16-11(3)4)13-15-8-9-17-13/h8-9,11-12,16H,6-7,10H2,1-5H3
InChIKeyYZIYUBDXNBLNNS-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.18
Rot. Bonds7

About 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine

5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine (PubChem CID 61333820) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine
PubChem CID61333820
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine
SMILESCCC(C)CC(CC)(NC(C)C)c1nccs1
InChIInChI=1S/C14H26N2S/c1-6-12(5)10-14(7-2,16-11(3)4)13-15-8-9-17-13/h8-9,11-12,16H,6-7,10H2,1-5H3
InChIKeyYZIYUBDXNBLNNS-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-3-(1,3-thiazol-2-yl)pentan-3-amine
CID 62542781
2-(propan-2-ylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990854
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
N-[2-(1,3-thiazol-2-yl)butan-2-yl]hex-5-en-2-amine
CID 104583939
1-(2-fluorophenyl)-N-propan-2-yl-2-(1,3-thiazol-2-yl)propan-2-amine
CID 114832596
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
2-methyl-1,1-bis(1,3-thiazol-2-yl)propan-1-ol
CID 129269629
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
N-(2-methoxyethyl)-1-phenyl-2-(1,3-thiazol-2-yl)butan-2-amine
CID 79007841
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The IUPAC name of 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine (CID 61333820) is 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine is CCC(C)CC(CC)(NC(C)C)c1nccs1.
What is the InChIKey of 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine?
The InChIKey is YZIYUBDXNBLNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-12(5)10-14(7-2,16-11(3)4)13-15-8-9-17-13/h8-9,11-12,16H,6-7,10H2,1-5H3.
What are the key properties of 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine?
5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-propan-2-yl-3-(1,3-thiazol-2-yl)heptan-3-amine is sourced from PubChem (CID 61333820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).