N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C17H29F3N4 — CID 109376495

IUPACN-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1(C2CC2)CCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H29F3N4/c1-13(17(18,19)20)23-8-10-24(11-9-23)15(21-2)22-12-16(6-3-7-16)14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyRMDVCLMBAVSCBQ-UHFFFAOYSA-N
MW346.44 g/mol
LogP2.71
Rot. Bonds4

About N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376495) has the molecular formula C17H29F3N4 and a molecular weight of 346.44 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376495
Molecular FormulaC17H29F3N4
Molecular Weight346.44 g/mol
Exact Mass346.23
IUPAC NameN-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1(C2CC2)CCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C17H29F3N4/c1-13(17(18,19)20)23-8-10-24(11-9-23)15(21-2)22-12-16(6-3-7-16)14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,22)
InChIKeyRMDVCLMBAVSCBQ-UHFFFAOYSA-N
XLogP2.71
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376058
N'-methyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376059
N-(3-cyclopropylpropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376074
N-(3-cyclopropylpropyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376075
N-(2,2-dicyclopropylethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376094
N-(2,2-dicyclopropylethyl)-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376095
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376135
N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376494
N'-ethyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376772
N'-ethyl-N-(2-propylcyclopropyl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376773
N-[(1-cyclopropylcyclopropyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378124
N-[(1-cyclopropylcyclopropyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378125

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376495) is N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCC1(C2CC2)CCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is RMDVCLMBAVSCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F3N4/c1-13(17(18,19)20)23-8-10-24(11-9-23)15(21-2)22-12-16(6-3-7-16)14-4-5-14/h13-14H,3-12H2,1-2H3,(H,21,22).
What are the key properties of N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 346.44 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclobutyl)methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109376495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).