N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine

C13H21N3 — CID 107093870

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccnn1C
InChIInChI=1S/C13H21N3/c1-10(12-5-8-15-16(12)2)14-9-13(6-7-13)11-3-4-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyFRDHOKCWMMSNST-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.26
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 107093870) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID107093870
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1(C2CC2)CC1)c1ccnn1C
InChIInChI=1S/C13H21N3/c1-10(12-5-8-15-16(12)2)14-9-13(6-7-13)11-3-4-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3
InChIKeyFRDHOKCWMMSNST-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclopropyl]methanol
CID 106757997
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
4-methyl-1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106757864
4-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]oxan-4-ol
CID 106757942
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115901551
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757054
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-[(1-cyclopropylcyclopropyl)methyl]-1-(furan-2-yl)ethanamine
CID 115895715
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
2,2-difluoro-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757996
N-[(1-cyclopropylcyclobutyl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115757332

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 107093870) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCC1(C2CC2)CC1)c1ccnn1C.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is FRDHOKCWMMSNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10(12-5-8-15-16(12)2)14-9-13(6-7-13)11-3-4-11/h5,8,10-11,14H,3-4,6-7,9H2,1-2H3.
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 107093870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).