N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine

C13H23N3 — CID 106757054

IUPACN-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyDQPOGUUKKGEJNW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds4

About N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine

N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106757054) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106757054
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(NCC1CCCCC1)c1ccnn1C
InChIInChI=1S/C13H23N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3
InChIKeyDQPOGUUKKGEJNW-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylcyclohexyl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757829
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106758148
[1-[[1-(2-methylpyrazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106758044
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431
N'-[1-(2-methylpyrazol-3-yl)ethyl]ethane-1,2-diamine
CID 66657947
N-(1,4-dioxan-2-ylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757647
2-cyclopentyl-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858828
N-[(1-ethylcyclopentyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093788
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107093870
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 107386044
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine (CID 106757054) is N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine is CC(NCC1CCCCC1)c1ccnn1C.
What is the InChIKey of N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is DQPOGUUKKGEJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(13-8-9-15-16(13)2)14-10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine?
N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106757054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).