trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine

C12H21N3 — CID 100637144

IUPACtrans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
SMILESC[C@@H]1CC(C)(C)C[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1
InChIKeyVJSXSAJVDGYBFZ-MWLCHTKSSA-N
MW207.32 g/mol
LogP2.32
Rot. Bonds3

About trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine

trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine (PubChem CID 100637144) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
PubChem CID100637144
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Nametrans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine
SMILESC[C@@H]1CC(C)(C)C[C@H]1NCc1ccn[nH]1
InChIInChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1
InChIKeyVJSXSAJVDGYBFZ-MWLCHTKSSA-N
XLogP2.32
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine?
The IUPAC name of trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine (CID 100637144) is trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine is C[C@@H]1CC(C)(C)C[C@H]1NCc1ccn[nH]1.
What is the InChIKey of trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine?
The InChIKey is VJSXSAJVDGYBFZ-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-6-12(2,3)7-11(9)13-8-10-4-5-14-15-10/h4-5,9,11,13H,6-8H2,1-3H3,(H,14,15)/t9-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine?
trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2,4,4-trimethyl-N-(1H-pyrazol-5-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 100637144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).