4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine

C16H30N4 — CID 63061086

IUPAC4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCCC2)c1CNC(C)(C)C
InChIInChI=1S/C16H30N4/c1-12-14(11-17-16(2,3)4)15(20(6)18-12)19(5)13-9-7-8-10-13/h13,17H,7-11H2,1-6H3
InChIKeyJILPWHMRRAFFNU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.00
Rot. Bonds4

About 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine

4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine (PubChem CID 63061086) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
PubChem CID63061086
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
SMILESCc1nn(C)c(N(C)C2CCCC2)c1CNC(C)(C)C
InChIInChI=1S/C16H30N4/c1-12-14(11-17-16(2,3)4)15(20(6)18-12)19(5)13-9-7-8-10-13/h13,17H,7-11H2,1-6H3
InChIKeyJILPWHMRRAFFNU-UHFFFAOYSA-N
XLogP3.00
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine (CID 63061086) is 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine is Cc1nn(C)c(N(C)C2CCCC2)c1CNC(C)(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is JILPWHMRRAFFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-14(11-17-16(2,3)4)15(20(6)18-12)19(5)13-9-7-8-10-13/h13,17H,7-11H2,1-6H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine?
4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 278.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 63061086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).