(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide

C14H23FN2 — CID 145143694

IUPAC(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
SMILESC/C=C(F)\C(C(/N)=N/C=C/CC)=C(\C)CCC
InChIInChI=1S/C14H23FN2/c1-5-8-10-17-14(16)13(12(15)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)/b10-8+,12-7+,13-11+
InChIKeyBJUUCBZMQQCZMR-CXXPBJBLSA-N
MW238.35 g/mol
LogP4.26
Rot. Bonds6

About (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide

(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide (PubChem CID 145143694) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide.

Molecular Properties

Compound Name(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
PubChem CID145143694
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide
SMILESC/C=C(F)\C(C(/N)=N/C=C/CC)=C(\C)CCC
InChIInChI=1S/C14H23FN2/c1-5-8-10-17-14(16)13(12(15)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)/b10-8+,12-7+,13-11+
InChIKeyBJUUCBZMQQCZMR-CXXPBJBLSA-N
XLogP4.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(E)-but-1-enyl]-4-methyl-3-[(Z)-prop-1-enyl]hept-3-en-2-imine
CID 145143502
methyl N'-[(Z)-but-1-enyl]carbamimidothioate
CID 144920980
N-[(Z)-but-1-enyl]propan-2-imine;ethane
CID 145419661
N-[(Z)-but-1-enyl]but-3-ynimidoyl fluoride
CID 166838368
N'-[(E)-but-1-enyl]-N-propan-2-ylideneethanimidamide
CID 155443629
(E)-4,5-dimethyloct-4-ene
CID 12714364
N'-[(Z)-but-1-enyl]-N,N-dipropylethanimidamide;ethane
CID 143929695
5-methyloct-4-en-4-amine
CID 176900512
6,7-dimethyldeca-2,6-diene
CID 91199113
N-[(Z)-pent-1-enyl]propan-2-imine
CID 145467907
3,4,5-trimethylocta-2,4-diene
CID 54130832
N-[(Z)-1-amino-2-methylbut-2-enylidene]butanamide
CID 171544490

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide?
The IUPAC name of (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide (CID 145143694) is (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide.
What is the SMILES notation for (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide?
The canonical SMILES for (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide is C/C=C(F)\C(C(/N)=N/C=C/CC)=C(\C)CCC.
What is the InChIKey of (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide?
The InChIKey is BJUUCBZMQQCZMR-CXXPBJBLSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-8-10-17-14(16)13(12(15)7-3)11(4)9-6-2/h7-8,10H,5-6,9H2,1-4H3,(H2,16,17)/b10-8+,12-7+,13-11+.
What are the key properties of (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide?
(Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide has a molecular weight of 238.35 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[(E)-but-1-enyl]-2-[(E)-1-fluoroprop-1-enyl]-3-methylhex-2-enimidamide is sourced from PubChem (CID 145143694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).