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

C15H29N5 — CID 62440226

IUPACN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1CCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H29N5/c1-5-14-7-6-8-19(14)9-10-20-12-13(17-18-20)11-16-15(2,3)4/h12,14,16H,5-11H2,1-4H3
InChIKeyXQVCCVAQZMHHAG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.04
Rot. Bonds6

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

N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62440226) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62440226
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC NameN-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCCN1CCn1cc(CNC(C)(C)C)nn1
InChIInChI=1S/C15H29N5/c1-5-14-7-6-8-19(14)9-10-20-12-13(17-18-20)11-16-15(2,3)4/h12,14,16H,5-11H2,1-4H3
InChIKeyXQVCCVAQZMHHAG-UHFFFAOYSA-N
XLogP2.04
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.04
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]propan-2-amine
CID 62440052
[1-[2-(2-ethylazepan-1-yl)ethyl]triazol-4-yl]methanamine
CID 104690284
2-methyl-N-[[1-[2-(3-methylpiperidin-1-yl)ethyl]triazol-4-yl]methyl]propan-2-amine
CID 62437588
N-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438721
N-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66193655
2-methyl-N-[(1-octyltriazol-4-yl)methyl]propan-2-amine
CID 66191679
N-[2-[4-[(tert-butylamino)methyl]triazol-1-yl]ethyl]-N-methylcyclohexanamine
CID 62425720
N-[[1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62438334
N-[[1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62431810
N-[[1-[2-(cyclohexylmethoxy)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62485269
2-methyl-N-[[1-(3,3,3-trifluoropropyl)triazol-4-yl]methyl]propan-2-amine
CID 66191690
N-[[1-[2-[cyclopropylmethyl(propyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62428805

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62440226) is N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine is CCC1CCCN1CCn1cc(CNC(C)(C)C)nn1.
What is the InChIKey of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is XQVCCVAQZMHHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-5-14-7-6-8-19(14)9-10-20-12-13(17-18-20)11-16-15(2,3)4/h12,14,16H,5-11H2,1-4H3.
What are the key properties of N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[2-(2-ethylpyrrolidin-1-yl)ethyl]triazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.04, 6 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]-2-methylpropan-2-amine is sourced from PubChem (CID 62440226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).