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

C13H24N2S — CID 61282170

IUPAC5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCc1cnc(C)s1
InChIInChI=1S/C13H24N2S/c1-5-10(3)7-12(6-2)15-9-13-8-14-11(4)16-13/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyBMSSJTFSKRXUJJ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.76
Rot. Bonds7

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

5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine (PubChem CID 61282170) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
PubChem CID61282170
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCc1cnc(C)s1
InChIInChI=1S/C13H24N2S/c1-5-10(3)7-12(6-2)15-9-13-8-14-11(4)16-13/h8,10,12,15H,5-7,9H2,1-4H3
InChIKeyBMSSJTFSKRXUJJ-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-hydroxy-3-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentanimidamide
CID 77031820
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
CID 63452371
N-[(2-methyl-1,3-thiazol-5-yl)methyl]hexan-2-amine
CID 61281607
2-methyl-5-(3-methylpentyl)-1,3-thiazole
CID 90806194
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
1-(1-methylcyclopropyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 61282955
methyl 2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoate
CID 115353240
2-N,2-N-dimethyl-1-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,2-diamine
CID 61042812
1-(4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 60776811
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 93367091
1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propan-2-ol
CID 60941890
4-butan-2-yl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868716

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine (CID 61282170) is 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine is CCC(C)CC(CC)NCc1cnc(C)s1.
What is the InChIKey of 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine?
The InChIKey is BMSSJTFSKRXUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-5-10(3)7-12(6-2)15-9-13-8-14-11(4)16-13/h8,10,12,15H,5-7,9H2,1-4H3.
What are the key properties of 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine?
5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]heptan-3-amine is sourced from PubChem (CID 61282170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).