[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine

C14H25N5 — CID 114460424

IUPAC[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCC(C)(C)C1=CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)12-4-6-18(7-5-12)8-9-19-11-13(10-15)16-17-19/h4,11H,5-10,15H2,1-3H3
InChIKeyXWKIVCNSZCOGPK-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.41
Rot. Bonds4

About [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine

[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine (PubChem CID 114460424) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
PubChem CID114460424
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
SMILESCC(C)(C)C1=CCN(CCn2cc(CN)nn2)CC1
InChIInChI=1S/C14H25N5/c1-14(2,3)12-4-6-18(7-5-12)8-9-19-11-13(10-15)16-17-19/h4,11H,5-10,15H2,1-3H3
InChIKeyXWKIVCNSZCOGPK-UHFFFAOYSA-N
XLogP1.41
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine
CID 114410888
[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methanamine
CID 114411098
[1-[2-(4-methylpiperidin-1-yl)ethyl]triazol-4-yl]methanamine
CID 62437886
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
N-[[1-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methyl]ethanamine
CID 114413134
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-N,N-dimethylethanamine
CID 71049116
[1-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]triazol-4-yl]methanamine
CID 55069976
1-[1-[2-[4-(aminomethyl)triazol-1-yl]ethyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 55073697
N-[[1-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]triazol-4-yl]methyl]propan-2-amine
CID 114413535
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
[1-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]triazol-4-yl]methanamine
CID 63621831
[1-(2-fluoroethyl)triazol-4-yl]methanamine
CID 80694161

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine (CID 114460424) is [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine is CC(C)(C)C1=CCN(CCn2cc(CN)nn2)CC1.
What is the InChIKey of [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine?
The InChIKey is XWKIVCNSZCOGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-14(2,3)12-4-6-18(7-5-12)8-9-19-11-13(10-15)16-17-19/h4,11H,5-10,15H2,1-3H3.
What are the key properties of [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine?
[1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine has a molecular weight of 263.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 114460424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).