N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C14H25F3N4 — CID 109376079

IUPACN'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/C=C/CCN/C(=N\C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4/c1-4-5-6-7-19-13(18-3)21-10-8-20(9-11-21)12(2)14(15,16)17/h4-5,12H,6-11H2,1-3H3,(H,18,19)/b5-4+
InChIKeyIDJFWRCDJQSSHF-SNAWJCMRSA-N
MW306.38 g/mol
LogP2.10
Rot. Bonds4

About N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109376079) has the molecular formula C14H25F3N4 and a molecular weight of 306.38 g/mol. Its IUPAC name is N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109376079
Molecular FormulaC14H25F3N4
Molecular Weight306.38 g/mol
Exact Mass306.20
IUPAC NameN'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/C=C/CCN/C(=N\C)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H25F3N4/c1-4-5-6-7-19-13(18-3)21-10-8-20(9-11-21)12(2)14(15,16)17/h4-5,12H,6-11H2,1-3H3,(H,18,19)/b5-4+
InChIKeyIDJFWRCDJQSSHF-SNAWJCMRSA-N
XLogP2.10
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376078
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376448
N-ethyl-N'-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376449
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376940
N'-methyl-N-prop-2-enyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376941
N-ethyl-N'-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377688
N-ethyl-N'-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377689
1-Cyclopent-3-en-1-yl-3-ethyl-2-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109768549
1-Cyclopent-3-en-1-yl-2-methyl-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]guanidine
CID 109772686
1-Cyclopent-3-en-1-yl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 109773486
1-Cyclopent-3-en-1-yl-2-methyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine
CID 109773487
1-ethyl-2-[(E)-pent-3-enyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111587872

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109376079) is N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/C=C/CCN/C(=N\C)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is IDJFWRCDJQSSHF-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H25F3N4/c1-4-5-6-7-19-13(18-3)21-10-8-20(9-11-21)12(2)14(15,16)17/h4-5,12H,6-11H2,1-3H3,(H,18,19)/b5-4+.
What are the key properties of N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 306.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-pent-3-enyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109376079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).