N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine

C15H27N3 — CID 83139327

IUPACN-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCCn1cc(CC(CNC2CC2)C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-5-18-11-12(9-17-18)8-13(15(2,3)4)10-16-14-6-7-14/h9,11,13-14,16H,5-8,10H2,1-4H3
InChIKeyHGJFPBBIGWCHIL-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.86
Rot. Bonds6

About N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine

N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine (PubChem CID 83139327) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
PubChem CID83139327
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine
SMILESCCn1cc(CC(CNC2CC2)C(C)(C)C)cn1
InChIInChI=1S/C15H27N3/c1-5-18-11-12(9-17-18)8-13(15(2,3)4)10-16-14-6-7-14/h9,11,13-14,16H,5-8,10H2,1-4H3
InChIKeyHGJFPBBIGWCHIL-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylamino)-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116555221
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
1-cyclooctyl-2-(1-ethylpyrazol-4-yl)-N-methylethanamine
CID 80603195
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[5-(1-ethylpyrazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590870
[1-(3-ethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105232851
2-cyclopropyl-N-[(1-ethylpyrazol-4-yl)methyl]propan-2-amine
CID 103700228
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
[4-cyclopentyl-1-(1-ethylpyrazol-4-yl)butan-2-yl]hydrazine
CID 105291380

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine (CID 83139327) is N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine is CCn1cc(CC(CNC2CC2)C(C)(C)C)cn1.
What is the InChIKey of N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
The InChIKey is HGJFPBBIGWCHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18-11-12(9-17-18)8-13(15(2,3)4)10-16-14-6-7-14/h9,11,13-14,16H,5-8,10H2,1-4H3.
What are the key properties of N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine?
N-[2-[(1-ethylpyrazol-4-yl)methyl]-3,3-dimethylbutyl]cyclopropanamine has a molecular weight of 249.40 g/mol, XLogP of 2.86, 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]-3,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83139327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).