N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine

C16H25FN2 — CID 145242376

IUPACN-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine
SMILESC=CC(=N/C(=C/CC)NC1CCCCC1)/C(F)=C\C
InChIInChI=1S/C16H25FN2/c1-4-10-16(18-13-11-8-7-9-12-13)19-15(6-3)14(17)5-2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3/b14-5+,16-10+,19-15-
InChIKeyNOBNUDBQVPJDQT-KFTFHWFKSA-N
MW264.39 g/mol
LogP4.66
Rot. Bonds6

About N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine

N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine (PubChem CID 145242376) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine
PubChem CID145242376
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine
SMILESC=CC(=N/C(=C/CC)NC1CCCCC1)/C(F)=C\C
InChIInChI=1S/C16H25FN2/c1-4-10-16(18-13-11-8-7-9-12-13)19-15(6-3)14(17)5-2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3/b14-5+,16-10+,19-15-
InChIKeyNOBNUDBQVPJDQT-KFTFHWFKSA-N
XLogP4.66
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
CID 145242372
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433
N-[(E)-1-[(Z)-[(Z)-3-methylpent-3-en-2-ylidene]amino]but-1-enyl]cyclohexanamine
CID 143262230

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine?
The IUPAC name of N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine (CID 145242376) is N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine?
The canonical SMILES for N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine is C=CC(=N/C(=C/CC)NC1CCCCC1)/C(F)=C\C.
What is the InChIKey of N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine?
The InChIKey is NOBNUDBQVPJDQT-KFTFHWFKSA-N. The full InChI is InChI=1S/C16H25FN2/c1-4-10-16(18-13-11-8-7-9-12-13)19-15(6-3)14(17)5-2/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3/b14-5+,16-10+,19-15-.
What are the key properties of N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine?
N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine has a molecular weight of 264.39 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine is sourced from PubChem (CID 145242376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).