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

C16H27N3 — CID 103871913

IUPAC1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1cnn(CCNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C16H27N3/c1-12-10-18-19(11-12)8-7-17-14-9-13-5-6-16(14,4)15(13,2)3/h10-11,13-14,17H,5-9H2,1-4H3
InChIKeyZNHVBBQBEZEVAT-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.00
Rot. Bonds4

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

1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 103871913) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID103871913
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1cnn(CCNC2CC3CCC2(C)C3(C)C)c1
InChIInChI=1S/C16H27N3/c1-12-10-18-19(11-12)8-7-17-14-9-13-5-6-16(14,4)15(13,2)3/h10-11,13-14,17H,5-9H2,1-4H3
InChIKeyZNHVBBQBEZEVAT-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 103871913) is 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cc1cnn(CCNC2CC3CCC2(C)C3(C)C)c1.
What is the InChIKey of 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZNHVBBQBEZEVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-12-10-18-19(11-12)8-7-17-14-9-13-5-6-16(14,4)15(13,2)3/h10-11,13-14,17H,5-9H2,1-4H3.
What are the key properties of 1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 3.00, 4 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-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103871913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).