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

C15H27N3 — CID 103903763

IUPACN-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCC1(CNC(C)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H27N3/c1-6-7-15(8-9-15)10-16-11(2)14-12(3)17-18(5)13(14)4/h11,16H,6-10H2,1-5H3
InChIKeyKYRUSDZETQECJS-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.27
Rot. Bonds6

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

N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 103903763) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID103903763
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCCCC1(CNC(C)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C15H27N3/c1-6-7-15(8-9-15)10-16-11(2)14-12(3)17-18(5)13(14)4/h11,16H,6-10H2,1-5H3
InChIKeyKYRUSDZETQECJS-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 115892930
4-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxan-4-ol
CID 81131016
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
3-[[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]methyl]oxolan-3-ol
CID 103904913
2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 62692855
3-ethyl-1-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103783108
N-[(1-ethylcyclobutyl)methyl]-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine
CID 103788328
2,2-dimethyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]butan-1-amine
CID 103460633
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 103903763) is N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is CCCC1(CNC(C)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is KYRUSDZETQECJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-7-15(8-9-15)10-16-11(2)14-12(3)17-18(5)13(14)4/h11,16H,6-10H2,1-5H3.
What are the key properties of N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 103903763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).