N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C16H25FN2 — CID 155394910

IUPACN-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=CC(C)=CC(/C=C\C)CN(C)/C(N=C)=C(\F)CC
InChIInChI=1S/C16H25FN2/c1-7-10-14(11-13(4)8-2)12-19(6)16(18-5)15(17)9-3/h7-8,10-11,14H,2,5,9,12H2,1,3-4,6H3/b10-7-,13-11?,16-15-
InChIKeyADTNZOUPMTWNAC-KXONVBOOSA-N
MW264.39 g/mol
LogP4.49
Rot. Bonds8

About N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 155394910) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID155394910
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=CC(C)=CC(/C=C\C)CN(C)/C(N=C)=C(\F)CC
InChIInChI=1S/C16H25FN2/c1-7-10-14(11-13(4)8-2)12-19(6)16(18-5)15(17)9-3/h7-8,10-11,14H,2,5,9,12H2,1,3-4,6H3/b10-7-,13-11?,16-15-
InChIKeyADTNZOUPMTWNAC-KXONVBOOSA-N
XLogP4.49
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 155394910) is N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=CC(C)=CC(/C=C\C)CN(C)/C(N=C)=C(\F)CC.
What is the InChIKey of N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is ADTNZOUPMTWNAC-KXONVBOOSA-N. The full InChI is InChI=1S/C16H25FN2/c1-7-10-14(11-13(4)8-2)12-19(6)16(18-5)15(17)9-3/h7-8,10-11,14H,2,5,9,12H2,1,3-4,6H3/b10-7-,13-11?,16-15-.
What are the key properties of N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 264.39 g/mol, XLogP of 4.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-1-(methylideneamino)but-1-enyl]-N,4-dimethyl-2-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 155394910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).