N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

C16H29N3 — CID 103788328

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(CC)CCC2)c1C
InChIInChI=1S/C16H29N3/c1-6-16(9-8-10-16)11-17-12(3)15-13(4)18-19(7-2)14(15)5/h12,17H,6-11H2,1-5H3
InChIKeyOXUUWLJTLJCSJT-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.75
Rot. Bonds6

About N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine

N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 103788328) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID103788328
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
SMILESCCn1nc(C)c(C(C)NCC2(CC)CCC2)c1C
InChIInChI=1S/C16H29N3/c1-6-16(9-8-10-16)11-17-12(3)15-13(4)18-19(7-2)14(15)5/h12,17H,6-11H2,1-5H3
InChIKeyOXUUWLJTLJCSJT-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine (CID 103788328) is N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is CCn1nc(C)c(C(C)NCC2(CC)CCC2)c1C.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is OXUUWLJTLJCSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-6-16(9-8-10-16)11-17-12(3)15-13(4)18-19(7-2)14(15)5/h12,17H,6-11H2,1-5H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 263.43 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103788328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).