1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

C17H29N3 — CID 105167837

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1C)CC1CC2CCC1C2
InChIInChI=1S/C17H29N3/c1-11-17(12(2)20(4)19-11)10-16(18-3)9-15-8-13-5-6-14(15)7-13/h13-16,18H,5-10H2,1-4H3
InChIKeyOWJNZDQBBCBAOD-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (PubChem CID 105167837) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
PubChem CID105167837
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
SMILESCNC(Cc1c(C)nn(C)c1C)CC1CC2CCC1C2
InChIInChI=1S/C17H29N3/c1-11-17(12(2)20(4)19-11)10-16(18-3)9-15-8-13-5-6-14(15)7-13/h13-16,18H,5-10H2,1-4H3
InChIKeyOWJNZDQBBCBAOD-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-(oxan-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105138618
1-(2-bicyclo[2.2.1]heptanyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylpropan-2-amine
CID 105019618
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 105002974
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)-N-methyl-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 66447331
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)-3-methoxy-N-methylpropan-2-amine
CID 79563312
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chloro-4-methylphenyl)-N-methylpropan-2-amine
CID 106867858
1-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 55223377
N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)decan-2-amine
CID 105127854
N-methyl-1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105113719
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-4-methylsulfanylbutan-2-amine
CID 105167964

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine (CID 105167837) is 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is CNC(Cc1c(C)nn(C)c1C)CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
The InChIKey is OWJNZDQBBCBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11-17(12(2)20(4)19-11)10-16(18-3)9-15-8-13-5-6-14(15)7-13/h13-16,18H,5-10H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 105167837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).