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

C13H24N2S — CID 104585067

IUPACN-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
SMILESCCCCC(CC)NCC(C)c1nccs1
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(5-2)15-10-11(3)13-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyUGMSZCHMKZDQJY-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.81
Rot. Bonds8

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

N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine (PubChem CID 104585067) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
PubChem CID104585067
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC NameN-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
SMILESCCCCC(CC)NCC(C)c1nccs1
InChIInChI=1S/C13H24N2S/c1-4-6-7-12(5-2)15-10-11(3)13-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3
InChIKeyUGMSZCHMKZDQJY-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine
CID 113429640
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
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-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
N-[2-(1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 104577139
N-ethyl-1-(1,3-thiazol-2-yl)decan-1-amine
CID 114078531
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
N-(1,3-thiazol-2-ylmethyl)undecan-6-amine
CID 61285231
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine (CID 104585067) is N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine is CCCCC(CC)NCC(C)c1nccs1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
The InChIKey is UGMSZCHMKZDQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-7-12(5-2)15-10-11(3)13-14-8-9-16-13/h8-9,11-12,15H,4-7,10H2,1-3H3.
What are the key properties of N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine?
N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine has a molecular weight of 240.42 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)propyl]heptan-3-amine is sourced from PubChem (CID 104585067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).