1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

C16H25N3 — CID 43792498

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)C2CC3C=CC2C3)cnn1C
InChIInChI=1S/C16H25N3/c1-10(15-8-13-5-6-14(15)7-13)18-11(2)16-9-17-19(4)12(16)3/h5-6,9-11,13-15,18H,7-8H2,1-4H3
InChIKeyWCLITNKWBVOLKY-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.98
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (PubChem CID 43792498) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
PubChem CID43792498
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
SMILESCc1c(C(C)NC(C)C2CC3C=CC2C3)cnn1C
InChIInChI=1S/C16H25N3/c1-10(15-8-13-5-6-14(15)7-13)18-11(2)16-9-17-19(4)12(16)3/h5-6,9-11,13-15,18H,7-8H2,1-4H3
InChIKeyWCLITNKWBVOLKY-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(dicyclopropylmethyl)-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 43751954
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutan-2-amine
CID 43751933
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43768140
1-(1,5-dimethylpyrazol-4-yl)-N-methylethanamine
CID 23005795
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43751841
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 43751923
1-(1,5-dimethylpyrazol-4-yl)-N-[1-(2,4,6-trimethylphenyl)ethyl]ethanamine
CID 43751968
1-(5-chlorothiophen-2-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751905
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]thiadiazol-5-amine
CID 107649415
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]azepan-4-amine
CID 103981520
2-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoic acid
CID 61499787

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine (CID 43792498) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is Cc1c(C(C)NC(C)C2CC3C=CC2C3)cnn1C.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
The InChIKey is WCLITNKWBVOLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-10(15-8-13-5-6-14(15)7-13)18-11(2)16-9-17-19(4)12(16)3/h5-6,9-11,13-15,18H,7-8H2,1-4H3.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine?
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.98, 4 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]hept-5-enyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine is sourced from PubChem (CID 43792498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).