1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine

C12H21FN2 — CID 143341963

IUPAC1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine
SMILESC=C(CN/C(CC)=C(/C)F)C(=C)C(C)N
InChIInChI=1S/C12H21FN2/c1-6-12(10(4)13)15-7-8(2)9(3)11(5)14/h11,15H,2-3,6-7,14H2,1,4-5H3/b12-10-
InChIKeyGNUPKFMYJRKSBX-BENRWUELSA-N
MW212.31 g/mol
LogP2.65
Rot. Bonds6

About 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine

1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine (PubChem CID 143341963) has the molecular formula C12H21FN2 and a molecular weight of 212.31 g/mol. Its IUPAC name is 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine
PubChem CID143341963
Molecular FormulaC12H21FN2
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine
SMILESC=C(CN/C(CC)=C(/C)F)C(=C)C(C)N
InChIInChI=1S/C12H21FN2/c1-6-12(10(4)13)15-7-8(2)9(3)11(5)14/h11,15H,2-3,6-7,14H2,1,4-5H3/b12-10-
InChIKeyGNUPKFMYJRKSBX-BENRWUELSA-N
XLogP2.65
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine with MolForge

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Related Compounds

(Z)-N-ethyl-2-fluoropent-2-en-3-amine
CID 142967863
butan-2-amine;tetrakis(2-methylbut-1-ene)
CID 158391457
ethane;methanamine;2-methylbut-1-ene;2-methylpropane
CID 142055312
3,4-dimethylidenehexan-2-ol
CID 130126331
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2,5-dimethylhept-1-en-3-ylhydrazine
CID 105320121
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
acetylene;(Z)-3-chloro-2-fluoropent-2-ene;ethane;ethenamine;1-N-methyl-2-methylidene-3-N-pent-3-ynylbut-3-ene-1,3-diamine;prop-1-en-2-amine
CID 143343163
(2R)-2-amino-3-methyl-N-(2-methylprop-2-enyl)butanamide
CID 104940094
(E)-5-fluoro-4,7,10-trimethyl-3,6-dimethylidenetridec-4-ene;propane
CID 145312710
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
1-N-but-1-en-2-yl-6-methyl-5-methylideneheptane-1,4-diamine
CID 170024058

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine?
The IUPAC name of 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine (CID 143341963) is 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine.
What is the SMILES notation for 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine?
The canonical SMILES for 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine is C=C(CN/C(CC)=C(/C)F)C(=C)C(C)N.
What is the InChIKey of 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine?
The InChIKey is GNUPKFMYJRKSBX-BENRWUELSA-N. The full InChI is InChI=1S/C12H21FN2/c1-6-12(10(4)13)15-7-8(2)9(3)11(5)14/h11,15H,2-3,6-7,14H2,1,4-5H3/b12-10-.
What are the key properties of 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine?
1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine has a molecular weight of 212.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z)-2-fluoropent-2-en-3-yl]-2,3-dimethylidenepentane-1,4-diamine is sourced from PubChem (CID 143341963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).