N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine

C15H21F3N2 — CID 15410600

IUPACN-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine
SMILESCC(C)/C(CCc1ccc(C(F)(F)F)cc1)=N/N(C)C
InChIInChI=1S/C15H21F3N2/c1-11(2)14(19-20(3)4)10-7-12-5-8-13(9-6-12)15(16,17)18/h5-6,8-9,11H,7,10H2,1-4H3/b19-14+
InChIKeyGRJVCMJMUUYVCV-XMHGGMMESA-N
MW286.34 g/mol
LogP4.21
Rot. Bonds5

About N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine

N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine (PubChem CID 15410600) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine
PubChem CID15410600
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine
SMILESCC(C)/C(CCc1ccc(C(F)(F)F)cc1)=N/N(C)C
InChIInChI=1S/C15H21F3N2/c1-11(2)14(19-20(3)4)10-7-12-5-8-13(9-6-12)15(16,17)18/h5-6,8-9,11H,7,10H2,1-4H3/b19-14+
InChIKeyGRJVCMJMUUYVCV-XMHGGMMESA-N
XLogP4.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Trifluoro-methyl p-tolyl ketone hydrazone
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trimethyl-[(Z)-(2-methyl-1-phenylpropylidene)amino]azanium
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N-[(E)-1-(4-fluorophenyl)ethylideneamino]-N-methylmethanamine
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1-[1-[4-(Trifluoromethyl)phenyl]ethylidene]hydrazine
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N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
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CID 85619527
N-methyl-N-[(E)-(2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentylidene)amino]methanamine
CID 135030967
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine (CID 15410600) is N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine is CC(C)/C(CCc1ccc(C(F)(F)F)cc1)=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine?
The InChIKey is GRJVCMJMUUYVCV-XMHGGMMESA-N. The full InChI is InChI=1S/C15H21F3N2/c1-11(2)14(19-20(3)4)10-7-12-5-8-13(9-6-12)15(16,17)18/h5-6,8-9,11H,7,10H2,1-4H3/b19-14+.
What are the key properties of N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine?
N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine has a molecular weight of 286.34 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[4-methyl-1-[4-(trifluoromethyl)phenyl]pentan-3-ylidene]amino]methanamine is sourced from PubChem (CID 15410600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).