1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

C16H28N4 — CID 105002974

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(CC1CC2CCC1C2)NC
InChIInChI=1S/C16H28N4/c1-3-6-20-16(18-11-19-20)10-15(17-2)9-14-8-12-4-5-13(14)7-12/h11-15,17H,3-10H2,1-2H3
InChIKeyQSZOQAWHSGOTME-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.64
Rot. Bonds7

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 105002974) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID105002974
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCCn1ncnc1CC(CC1CC2CCC1C2)NC
InChIInChI=1S/C16H28N4/c1-3-6-20-16(18-11-19-20)10-15(17-2)9-14-8-12-4-5-13(14)7-12/h11-15,17H,3-10H2,1-2H3
InChIKeyQSZOQAWHSGOTME-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine
CID 104999908
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 104999502
[1-(2-bicyclo[2.2.1]heptanyl)-3-(1-propylimidazol-2-yl)propan-2-yl]hydrazine
CID 105323310
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167837
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-1-propylpyrazol-5-yl)-N-methylethanamine
CID 105048734
1-cyclooctyl-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 80604052
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66447331
N-methyl-1-(2-propyl-1,2,4-triazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215703
1-(2-bicyclo[2.2.1]heptanyl)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-cyclopropyl-1-ethoxy-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 116723474
1-(2-bicyclo[2.2.1]heptanyl)-N-methylundecan-2-amine
CID 115831312
1-(2-bicyclo[2.2.1]heptanyl)-N-methyloctan-2-amine
CID 115833241

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine (CID 105002974) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is CCCn1ncnc1CC(CC1CC2CCC1C2)NC.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is QSZOQAWHSGOTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-6-20-16(18-11-19-20)10-15(17-2)9-14-8-12-4-5-13(14)7-12/h11-15,17H,3-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 105002974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).