N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

C14H27N5 — CID 62440052

IUPACN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCC1CCCN1CCn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H27N5/c1-4-14-6-5-7-18(14)8-9-19-11-13(16-17-19)10-15-12(2)3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyWLRRIWYQOAOCDD-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.65
Rot. Bonds7

About N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine

N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (PubChem CID 62440052) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
PubChem CID62440052
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC NameN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
SMILESCCC1CCCN1CCn1cc(CNC(C)C)nn1
InChIInChI=1S/C14H27N5/c1-4-14-6-5-7-18(14)8-9-19-11-13(16-17-19)10-15-12(2)3/h11-12,14-15H,4-10H2,1-3H3
InChIKeyWLRRIWYQOAOCDD-UHFFFAOYSA-N
XLogP1.65
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62440226
[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
CID 104690284
N-[[1-[2-(4-cyclopropylpiperazin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62412244
N-[[1-[2-(4-methoxypiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62421519
N-[[1-[2-[cyclopentylmethyl(methyl)amino]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 63655308
N-ethyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]cyclohexanamine
CID 62423750
N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66193569
N-methyl-1-[1-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 103503296
N-[[1-(2-propan-2-ylsulfonylethyl)triazol-4-yl]methyl]propan-2-amine
CID 106734742
N-methyl-N-[2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethyl]pentan-2-amine
CID 55074863
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine (CID 62440052) is N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is CCC1CCCN1CCn1cc(CNC(C)C)nn1.
What is the InChIKey of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
The InChIKey is WLRRIWYQOAOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-4-14-6-5-7-18(14)8-9-19-11-13(16-17-19)10-15-12(2)3/h11-12,14-15H,4-10H2,1-3H3.
What are the key properties of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine?
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62440052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).