N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine

C14H22N4S — CID 114687494

IUPACN-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnnn1CCC
InChIInChI=1S/C14H22N4S/c1-3-7-15-13(10-12-6-5-9-19-12)14-11-16-17-18(14)8-4-2/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyHJIPVCLZTVYWGL-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.03
Rot. Bonds8

About N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine

N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine (PubChem CID 114687494) has the molecular formula C14H22N4S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
PubChem CID114687494
Molecular FormulaC14H22N4S
Molecular Weight278.42 g/mol
Exact Mass278.16
IUPAC NameN-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine
SMILESCCCNC(Cc1cccs1)c1cnnn1CCC
InChIInChI=1S/C14H22N4S/c1-3-7-15-13(10-12-6-5-9-19-12)14-11-16-17-18(14)8-4-2/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3
InChIKeyHJIPVCLZTVYWGL-UHFFFAOYSA-N
XLogP3.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-(3-methyltriazol-4-yl)-2-thiophen-2-ylethanamine
CID 114687490
N-[1-(3-propyltriazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 114687156
N-[1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 114687188
N-[2-methylsulfonyl-1-(3-propyltriazol-4-yl)ethyl]propan-1-amine
CID 105038466
N-[1-(1,5-dimethylpyrazol-3-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114219164
N-[1-(6-methyl-3-pyridinyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63155524
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-thiophen-2-ylethyl]propan-1-amine
CID 114649457
N-[1-(2,5-dimethylphenyl)-2-thiophen-2-ylethyl]propan-1-amine
CID 63416075
N-[(3-propyltriazol-4-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114687085
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783159
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
CID 103126662
N-[furan-3-yl-(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687797

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine (CID 114687494) is N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine is CCCNC(Cc1cccs1)c1cnnn1CCC.
What is the InChIKey of N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine?
The InChIKey is HJIPVCLZTVYWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-3-7-15-13(10-12-6-5-9-19-12)14-11-16-17-18(14)8-4-2/h5-6,9,11,13,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine?
N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine has a molecular weight of 278.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-propyltriazol-4-yl)-2-thiophen-2-ylethyl]propan-1-amine is sourced from PubChem (CID 114687494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).