2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

C16H29N3 — CID 104694927

IUPAC2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1nccc1CCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-16(2,3)14-7-5-6-8-15(14)17-11-9-13-10-12-18-19(13)4/h10,12,14-15,17H,5-9,11H2,1-4H3
InChIKeyBFRRYTDRQLXOQP-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.16
Rot. Bonds4

About 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 104694927) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
PubChem CID104694927
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
SMILESCn1nccc1CCNC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H29N3/c1-16(2,3)14-7-5-6-8-15(14)17-11-9-13-10-12-18-19(13)4/h10,12,14-15,17H,5-9,11H2,1-4H3
InChIKeyBFRRYTDRQLXOQP-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
CID 104695087
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
4-[2-[(2-tert-butylcyclohexyl)amino]ethyl]phenol
CID 61236716
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
2-tert-butyl-N-(2-pyridin-3-ylethyl)cyclohexan-1-amine
CID 60894469
1,2,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104695040

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine (CID 104694927) is 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is Cn1nccc1CCNC1CCCCC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is BFRRYTDRQLXOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-16(2,3)14-7-5-6-8-15(14)17-11-9-13-10-12-18-19(13)4/h10,12,14-15,17H,5-9,11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 104694927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).