9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C14H25N5 — CID 106302599

IUPAC9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCn1cnnc1CN1C2CCCC1CC(NC)C2
InChIInChI=1S/C14H25N5/c1-3-18-10-16-17-14(18)9-19-12-5-4-6-13(19)8-11(7-12)15-2/h10-13,15H,3-9H2,1-2H3
InChIKeyGTMKRLMOURSJCE-UHFFFAOYSA-N
MW263.39 g/mol
LogP1.40
Rot. Bonds4

About 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine

9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 106302599) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID106302599
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCn1cnnc1CN1C2CCCC1CC(NC)C2
InChIInChI=1S/C14H25N5/c1-3-18-10-16-17-14(18)9-19-12-5-4-6-13(19)8-11(7-12)15-2/h10-13,15H,3-9H2,1-2H3
InChIKeyGTMKRLMOURSJCE-UHFFFAOYSA-N
XLogP1.40
TPSA45.98 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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106302597
N-methyl-9-[(1-methylimidazol-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 63293406
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 114170762
N-methyl-9-(1,3-thiazol-4-ylmethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55261433
3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 115688865
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperidin-3-amine
CID 106302127
9-[(2,4-difluorophenyl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712049
N-methyl-9-[2-(1-methylimidazol-2-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106274
9-(cyclopropylmethyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713964

Frequently Asked Questions

What is the IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 106302599) is 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCn1cnnc1CN1C2CCCC1CC(NC)C2.
What is the InChIKey of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GTMKRLMOURSJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-3-18-10-16-17-14(18)9-19-12-5-4-6-13(19)8-11(7-12)15-2/h10-13,15H,3-9H2,1-2H3.
What are the key properties of 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 263.39 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 106302599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).