N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine

C14H25N3 — CID 82870716

IUPACN-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-4-14(5-2,11-15-12-6-7-12)10-13-8-9-17(3)16-13/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyFAOIFDUMIKXKAD-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.52
Rot. Bonds7

About N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine

N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine (PubChem CID 82870716) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
PubChem CID82870716
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine
SMILESCCC(CC)(CNC1CC1)Cc1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-4-14(5-2,11-15-12-6-7-12)10-13-8-9-17(3)16-13/h8-9,12,15H,4-7,10-11H2,1-3H3
InChIKeyFAOIFDUMIKXKAD-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82870837
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylbutan-1-amine
CID 82870607
2-cyclopropyl-N-ethyl-2-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 83160224
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]hexan-1-ol
CID 82871026
N-[3-methyl-4-(1-methylpyrazol-3-yl)butyl]cyclopropanamine
CID 82882697
1-(cyclopropylamino)-2-methyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 66038687
N-ethyl-2,2-dimethyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871999
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
N-[2-ethyl-2-(thiophen-2-ylmethyl)butyl]cyclopropanamine
CID 62723656
N-[2-ethyl-2-(naphthalen-1-ylmethyl)butyl]cyclopropanamine
CID 63509675

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine (CID 82870716) is N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine is CCC(CC)(CNC1CC1)Cc1ccn(C)n1.
What is the InChIKey of N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
The InChIKey is FAOIFDUMIKXKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(5-2,11-15-12-6-7-12)10-13-8-9-17(3)16-13/h8-9,12,15H,4-7,10-11H2,1-3H3.
What are the key properties of N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine?
N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-[(1-methylpyrazol-3-yl)methyl]butyl]cyclopropanamine is sourced from PubChem (CID 82870716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).