1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C15H25N3 — CID 43223186

IUPAC1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2(C)C3(C)C)cn1
InChIInChI=1S/C15H25N3/c1-14(2)12-5-6-15(14,3)13(7-12)16-8-11-9-17-18(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3
InChIKeyWSKYBYDYCDECCO-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.72
Rot. Bonds3

About 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 43223186) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID43223186
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1cc(CNC2CC3CCC2(C)C3(C)C)cn1
InChIInChI=1S/C15H25N3/c1-14(2)12-5-6-15(14,3)13(7-12)16-8-11-9-17-18(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3
InChIKeyWSKYBYDYCDECCO-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,7,7-trimethyl-N-(pyridin-4-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222723
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
1,7,7-trimethyl-N-(pyridin-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222733
1,7,7-trimethyl-N-(1H-pyrrol-3-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 66408508
1,7,7-trimethyl-N-[(1-methylimidazol-2-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 60689135
N-[(1-methylpyrazol-4-yl)methyl]spiro[3.5]nonan-3-amine
CID 102951612
N-(1,3-benzodioxol-5-ylmethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43222587
4-[[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]methyl]benzoic acid
CID 65347721
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104878460
(1S)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 139370439
1,7,7-trimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 80681298
(1R,2R,4R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine;dihydrochloride
CID 118989555

Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 43223186) is 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cn1cc(CNC2CC3CCC2(C)C3(C)C)cn1.
What is the InChIKey of 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is WSKYBYDYCDECCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-14(2)12-5-6-15(14,3)13(7-12)16-8-11-9-17-18(4)10-11/h9-10,12-13,16H,5-8H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,7-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43223186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).