N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H25N3 — CID 113348518

IUPACN-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCC1CC1(C)C
InChIInChI=1S/C14H25N3/c1-9(15-8-12-7-14(12,4)5)13-10(2)16-17(6)11(13)3/h9,12,15H,7-8H2,1-6H3
InChIKeyZNXZPWJVEFYWDQ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.73
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 113348518) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID113348518
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(C)NCC1CC1(C)C
InChIInChI=1S/C14H25N3/c1-9(15-8-12-7-14(12,4)5)13-10(2)16-17(6)11(13)3/h9,12,15H,7-8H2,1-6H3
InChIKeyZNXZPWJVEFYWDQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103903763
[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
2-methyl-2-methylsulfanyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115726066
3-cyclopentyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 103776530
N-[2-(cyclopropylmethoxy)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 103782851
2-chloro-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]prop-2-en-1-amine
CID 115891116
5-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 107270383
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131016
N-[2-[2-(dimethylamino)ethoxy]ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107094110
2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 125163348

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 113348518) is N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(C)NCC1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is ZNXZPWJVEFYWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-9(15-8-12-7-14(12,4)5)13-10(2)16-17(6)11(13)3/h9,12,15H,7-8H2,1-6H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 113348518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).