N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

C17H29N3 — CID 81032362

IUPACN-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCn1cc(CC2CC(C)CCC2CNC2CC2)cn1
InChIInChI=1S/C17H29N3/c1-3-20-12-14(10-19-20)9-16-8-13(2)4-5-15(16)11-18-17-6-7-17/h10,12-13,15-18H,3-9,11H2,1-2H3
InChIKeyDGJYTGASDVDIJJ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.25
Rot. Bonds6

About N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81032362) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81032362
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCCn1cc(CC2CC(C)CCC2CNC2CC2)cn1
InChIInChI=1S/C17H29N3/c1-3-20-12-14(10-19-20)9-16-8-13(2)4-5-15(16)11-18-17-6-7-17/h10,12-13,15-18H,3-9,11H2,1-2H3
InChIKeyDGJYTGASDVDIJJ-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305
N-ethyl-2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexan-1-amine
CID 55041287
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376
N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590870
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
N-ethyl-4-methyl-2-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62127469
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81032362) is N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is CCn1cc(CC2CC(C)CCC2CNC2CC2)cn1.
What is the InChIKey of N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is DGJYTGASDVDIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-20-12-14(10-19-20)9-16-8-13(2)4-5-15(16)11-18-17-6-7-17/h10,12-13,15-18H,3-9,11H2,1-2H3.
What are the key properties of N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).