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

C14H26N2S — CID 113429640

IUPAC5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCC(C)c1nccs1
InChIInChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)16-10-12(4)14-15-7-8-17-14/h7-8,11-13,16H,5-6,9-10H2,1-4H3
InChIKeyJBKQVHXPDHYDQH-UHFFFAOYSA-N
MW254.44 g/mol
LogP4.05
Rot. Bonds8

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

5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine (PubChem CID 113429640) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
PubChem CID113429640
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
SMILESCCC(C)CC(CC)NCC(C)c1nccs1
InChIInChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)16-10-12(4)14-15-7-8-17-14/h7-8,11-13,16H,5-6,9-10H2,1-4H3
InChIKeyJBKQVHXPDHYDQH-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 104585067
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
1-cyclopropyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 104584982
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
N-methyl-3-[2-(1,3-thiazol-2-yl)propylamino]butanamide
CID 104584894
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The IUPAC name of 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine (CID 113429640) is 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine.
What is the SMILES notation for 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The canonical SMILES for 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine is CCC(C)CC(CC)NCC(C)c1nccs1.
What is the InChIKey of 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The InChIKey is JBKQVHXPDHYDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-5-11(3)9-13(6-2)16-10-12(4)14-15-7-8-17-14/h7-8,11-13,16H,5-6,9-10H2,1-4H3.
What are the key properties of 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine has a molecular weight of 254.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine is sourced from PubChem (CID 113429640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).