N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine

C16H23F3N2 — CID 145242372

IUPACN-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
SMILESC=C(/N=C(C(=C)C)\C(=C/C)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H23F3N2/c1-5-14(16(17,18)19)15(11(2)3)21-12(4)20-13-9-7-6-8-10-13/h5,13,20H,2,4,6-10H2,1,3H3/b14-5+,21-15-
InChIKeyNXZSRUWBUKSFBK-YFGGSSOGSA-N
MW300.37 g/mol
LogP4.91
Rot. Bonds5

About N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine

N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine (PubChem CID 145242372) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine.

Molecular Properties

Compound NameN-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
PubChem CID145242372
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine
SMILESC=C(/N=C(C(=C)C)\C(=C/C)C(F)(F)F)NC1CCCCC1
InChIInChI=1S/C16H23F3N2/c1-5-14(16(17,18)19)15(11(2)3)21-12(4)20-13-9-7-6-8-10-13/h5,13,20H,2,4,6-10H2,1,3H3/b14-5+,21-15-
InChIKeyNXZSRUWBUKSFBK-YFGGSSOGSA-N
XLogP4.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-[(Z)-[(4E)-4-fluorohexa-1,4-dien-3-ylidene]amino]but-1-enyl]cyclohexanamine
CID 145242376
4-N-(7-ethyl-6-fluoro-4-methylideneazepin-2-yl)cyclohexane-1,4-diamine
CID 166750793
1-[4-(1,1-difluoroethyl)-2,7-dihydro-1H-1,3-diazepin-6-yl]hexan-3-amine
CID 166907548
N-[(3Z)-3-[C-(difluoromethyl)-N-methylcarbonimidoyl]-5-methylhexa-1,3,5-trien-2-yl]cyclohexanamine
CID 167055985
N-[1-[[(5E)-3-[2-cyclopropyl-1-(methylamino)ethylidene]-5-(trifluoromethyl)hepta-1,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 173970803
N-[1-[(E)-[(5Z)-3-methanimidoyl-2-methylhepta-2,5-dien-4-ylidene]amino]ethenyl]cyclohexanamine
CID 145242433
N-[1-[[(2E,3E,4Z)-2,3-di(ethylidene)-6-methylhepta-4,6-dienylidene]amino]ethenyl]cyclohexanamine
CID 173986093
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-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine?
The IUPAC name of N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine (CID 145242372) is N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine.
What is the SMILES notation for N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine?
The canonical SMILES for N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine is C=C(/N=C(C(=C)C)\C(=C/C)C(F)(F)F)NC1CCCCC1.
What is the InChIKey of N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine?
The InChIKey is NXZSRUWBUKSFBK-YFGGSSOGSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-5-14(16(17,18)19)15(11(2)3)21-12(4)20-13-9-7-6-8-10-13/h5,13,20H,2,4,6-10H2,1,3H3/b14-5+,21-15-.
What are the key properties of N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine?
N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine has a molecular weight of 300.37 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(Z)-[(4E)-2-methyl-4-(trifluoromethyl)hexa-1,4-dien-3-ylidene]amino]ethenyl]cyclohexanamine is sourced from PubChem (CID 145242372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).