1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

C17H29N3 — CID 43223177

IUPAC1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)c(C)c1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H29N3/c1-11-14(12(2)20(6)19-11)10-18-15-9-13-7-8-17(15,5)16(13,3)4/h13,15,18H,7-10H2,1-6H3
InChIKeySQBLIDAAOBFMHJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.34
Rot. Bonds3

About 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine

1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 43223177) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID43223177
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
SMILESCc1nn(C)c(C)c1CNC1CC2CCC1(C)C2(C)C
InChIInChI=1S/C17H29N3/c1-11-14(12(2)20(6)19-11)10-18-15-9-13-7-8-17(15,5)16(13,3)4/h13,15,18H,7-10H2,1-6H3
InChIKeySQBLIDAAOBFMHJ-UHFFFAOYSA-N
XLogP3.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.34
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine (CID 43223177) is 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is Cc1nn(C)c(C)c1CNC1CC2CCC1(C)C2(C)C.
What is the InChIKey of 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is SQBLIDAAOBFMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-11-14(12(2)20(6)19-11)10-18-15-9-13-7-8-17(15,5)16(13,3)4/h13,15,18H,7-10H2,1-6H3.
What are the key properties of 1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine?
1,7,7-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.34, 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-[(1,3,5-trimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 43223177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).