N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

C16H29N3 — CID 81333722

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CCCCC1C(C)C
InChIInChI=1S/C16H29N3/c1-11(2)14-8-6-7-9-16(14)17-12(3)15-10-19(5)18-13(15)4/h10-12,14,16-17H,6-9H2,1-5H3
InChIKeyGUCUVHKCJNESTH-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (PubChem CID 81333722) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
PubChem CID81333722
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
SMILESCc1nn(C)cc1C(C)NC1CCCCC1C(C)C
InChIInChI=1S/C16H29N3/c1-11(2)14-8-6-7-9-16(14)17-12(3)15-10-19(5)18-13(15)4/h10-12,14,16-17H,6-9H2,1-5H3
InChIKeyGUCUVHKCJNESTH-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylsulfanylcyclopentan-1-amine
CID 113262260
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 65196991
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115716888
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
CID 65197375
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-phenylcyclopropan-1-amine
CID 65197378
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-ethylpiperidin-4-amine
CID 65197175
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-ethylcyclohexan-1-amine
CID 65196831
N-(dicyclopropylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191955
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,6-dimethylpiperidin-1-amine
CID 83009856
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethylcyclohexan-1-amine
CID 65197237
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 65197463

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine (CID 81333722) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is Cc1nn(C)cc1C(C)NC1CCCCC1C(C)C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is GUCUVHKCJNESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11(2)14-8-6-7-9-16(14)17-12(3)15-10-19(5)18-13(15)4/h10-12,14,16-17H,6-9H2,1-5H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 81333722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).