N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine

C14H25N3O — CID 43792516

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cnn(C)c1C
InChIInChI=1S/C14H25N3O/c1-10(12-9-15-17(3)11(12)2)16-13-7-5-6-8-14(13)18-4/h9-10,13-14,16H,5-8H2,1-4H3
InChIKeyFCOOOGYMDYQCSN-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.34
Rot. Bonds4

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43792516) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43792516
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)c1cnn(C)c1C
InChIInChI=1S/C14H25N3O/c1-10(12-9-15-17(3)11(12)2)16-13-7-5-6-8-14(13)18-4/h9-10,13-14,16H,5-8H2,1-4H3
InChIKeyFCOOOGYMDYQCSN-UHFFFAOYSA-N
XLogP2.34
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine (CID 43792516) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)c1cnn(C)c1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is FCOOOGYMDYQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(12-9-15-17(3)11(12)2)16-13-7-5-6-8-14(13)18-4/h9-10,13-14,16H,5-8H2,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43792516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).